1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine

C276H363Cl6F18N19O6 — CID 167561095

IUPAC1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(Cl)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)ccc1F.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ncccn1.COc1cc(C(C)C)ccn1.COc1cc(Cl)cc(C(C)C)c1.COc1ccc(F)cc1C(C)C.COc1cccc(C(C)C)c1.COc1cccc(C(C)C)n1.COc1ccccc1C(C)C.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C)nc(C(C)C)n1.Cc1cc(Cl)cc(C(C)C)n1.Cc1ccc(F)c(C(C)C)n1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C10H13ClO.C10H11F3.C10H13FO.2C10H15N.C10H11N.2C10H14O.2C10H14.C9H10Cl2.C9H10ClF.C9H12ClN.C9H11Cl.2C9H10F3N.2C9H10F2.C9H12FN.2C9H11F.C9H14N2.2C9H13NO.3C9H13N.C8H12N2.C8H11N.C7H10N2/c1-7(2)8-4-9(11)6-10(5-8)12-3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)9-5-8(10)4-7(3)11-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)9-8(10)5-4-7(3)11-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-10-7(3)5-8(4)11-9;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-9-5-4-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*5-7H,1-4H3;3-6,8H,1-2H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyDRACGORITKHKRH-UHFFFAOYSA-N
MW4597.75 g/mol
LogP85.88
Rot. Bonds36

About 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine

1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 167561095) has the molecular formula C276H363Cl6F18N19O6 and a molecular weight of 4597.75 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID167561095
Molecular FormulaC276H363Cl6F18N19O6
Molecular Weight4597.75 g/mol
Exact Mass4591.65
IUPAC Name1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESCC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(Cl)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)ccc1F.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ncccn1.COc1cc(C(C)C)ccn1.COc1cc(Cl)cc(C(C)C)c1.COc1ccc(F)cc1C(C)C.COc1cccc(C(C)C)c1.COc1cccc(C(C)C)n1.COc1ccccc1C(C)C.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C)nc(C(C)C)n1.Cc1cc(Cl)cc(C(C)C)n1.Cc1ccc(F)c(C(C)C)n1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C10H13ClO.C10H11F3.C10H13FO.2C10H15N.C10H11N.2C10H14O.2C10H14.C9H10Cl2.C9H10ClF.C9H12ClN.C9H11Cl.2C9H10F3N.2C9H10F2.C9H12FN.2C9H11F.C9H14N2.2C9H13NO.3C9H13N.C8H12N2.C8H11N.C7H10N2/c1-7(2)8-4-9(11)6-10(5-8)12-3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)9-5-8(10)4-7(3)11-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)9-8(10)5-4-7(3)11-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-10-7(3)5-8(4)11-9;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-9-5-4-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*5-7H,1-4H3;3-6,8H,1-2H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyDRACGORITKHKRH-UHFFFAOYSA-N
XLogP85.88
TPSA311.19 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms325
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004597.75
LogP ≤ 585.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine (CID 167561095) is 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine is CC(C)c1cc(Cl)cc(Cl)c1.CC(C)c1cc(F)cc(Cl)c1.CC(C)c1cc(F)cc(F)c1.CC(C)c1cc(F)ccc1F.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1F.CC(C)c1ccccn1.CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ncccn1.COc1cc(C(C)C)ccn1.COc1cc(Cl)cc(C(C)C)c1.COc1ccc(F)cc1C(C)C.COc1cccc(C(C)C)c1.COc1cccc(C(C)C)n1.COc1ccccc1C(C)C.Cc1cc(C(C)C)cc(C)n1.Cc1cc(C(C)C)ccn1.Cc1cc(C)nc(C(C)C)c1.Cc1cc(C)nc(C(C)C)n1.Cc1cc(Cl)cc(C(C)C)n1.Cc1ccc(F)c(C(C)C)n1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccccc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ccnc(C(C)C)n1.
What is the InChIKey of 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is DRACGORITKHKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO.C10H11F3.C10H13FO.2C10H15N.C10H11N.2C10H14O.2C10H14.C9H10Cl2.C9H10ClF.C9H12ClN.C9H11Cl.2C9H10F3N.2C9H10F2.C9H12FN.2C9H11F.C9H14N2.2C9H13NO.3C9H13N.C8H12N2.C8H11N.C7H10N2/c1-7(2)8-4-9(11)6-10(5-8)12-3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)10-5-8(3)11-9(4)6-10;1-7(2)10-6-8(3)5-9(4)11-10;1-8(2)10-5-3-4-9(6-10)7-11;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)9-5-8(10)4-7(3)11-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)7-3-8(10)5-9(11)4-7;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)9-8(10)5-4-7(3)11-9;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)9-10-7(3)5-8(4)11-9;1-7(2)8-4-5-10-9(6-8)11-3;1-7(2)8-5-4-6-9(10-8)11-3;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-9-5-4-7(3)10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7/h4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;2*5-7H,1-4H3;3-6,8H,1-2H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;2*3-6H,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3;2*3-7H,1-2H3;5-6H,1-4H3;2*4-7H,1-3H3;3*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine?
1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 4597.75 g/mol, XLogP of 85.88, 36 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-propan-2-ylbenzene;1-chloro-3-methoxy-5-propan-2-ylbenzene;4-chloro-2-methyl-6-propan-2-ylpyridine;1-chloro-3-propan-2-ylbenzene;1,3-dichloro-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-2-propan-2-ylpyrimidine;4-fluoro-1-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methyl-2-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-4-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-3-(trifluoromethyl)benzene;2-propan-2-yl-6-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 167561095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).