2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine

C230H280Cl3F43N4O10 — CID 159458133

IUPAC2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine
SMILESC.C.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1Cl.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1ccccc1F.CC(C)c1cc(C(F)(F)F)ccc1C(F)(F)F.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(OC(F)(F)C(F)F)c1.CC(C)c1cc(F)cc(OCC(F)(F)C(F)F)c1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc2c(c1)C(F)(F)OC(F)(F)O2.CC(C)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc2c1OC(F)(F)O2.COc1ccccc1CC(C)C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)nc1.Cc1cccc(CC(C)C)c1.Cc1ccccc1CC(C)C
InChIInChI=1S/C12H13F5O.C11H10F6.C11H11F5O.2C11H10F4O2.C11H12F4O.C11H13N.C11H16O.4C11H16.C10H12ClF.C10H13Cl.2C10H10F4.C10H10F2O2.C10H12F2.C10H13F.C9H13N.C8H10ClN.C8H10FN.2CH4/c1-7(2)8-3-9(13)5-10(4-8)18-6-12(16,17)11(14)15;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11(15,16)17;1-6(2)7-3-8(12)5-9(4-7)17-11(15,16)10(13)14;1-6(2)7-3-4-9-8(5-7)10(12,13)17-11(14,15)16-9;1-6(2)7-3-4-8-9(5-7)17-11(14,15)10(12,13)16-8;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)8-10-6-4-5-7-11(10)12-3;2*1-8(2)11-6-5-9(3)10(4)7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-9(2)8-11-7-5-4-6-10(11)3;1-7(2)5-8-3-4-9(12)6-10(8)11;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-10(9)11;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;;/h3-5,7,11H,6H2,1-2H3;3-6H,1-2H3;3-6,10H,1-2H3;2*3-6H,1-2H3;3-7,10H,1-2H3;3-5,7,9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3*3-6H,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;2*1H4
InChIKeyLUFYAUPORPUSAR-UHFFFAOYSA-N
MW4184.06 g/mol
LogP77.24
Rot. Bonds41

About 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine

2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine (PubChem CID 159458133) has the molecular formula C230H280Cl3F43N4O10 and a molecular weight of 4184.06 g/mol. Its IUPAC name is 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine.

Molecular Properties

Compound Name2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine
PubChem CID159458133
Molecular FormulaC230H280Cl3F43N4O10
Molecular Weight4184.06 g/mol
Exact Mass4179.99
IUPAC Name2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine
SMILESC.C.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1Cl.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1ccccc1F.CC(C)c1cc(C(F)(F)F)ccc1C(F)(F)F.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(OC(F)(F)C(F)F)c1.CC(C)c1cc(F)cc(OCC(F)(F)C(F)F)c1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc2c(c1)C(F)(F)OC(F)(F)O2.CC(C)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc2c1OC(F)(F)O2.COc1ccccc1CC(C)C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)nc1.Cc1cccc(CC(C)C)c1.Cc1ccccc1CC(C)C
InChIInChI=1S/C12H13F5O.C11H10F6.C11H11F5O.2C11H10F4O2.C11H12F4O.C11H13N.C11H16O.4C11H16.C10H12ClF.C10H13Cl.2C10H10F4.C10H10F2O2.C10H12F2.C10H13F.C9H13N.C8H10ClN.C8H10FN.2CH4/c1-7(2)8-3-9(13)5-10(4-8)18-6-12(16,17)11(14)15;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11(15,16)17;1-6(2)7-3-8(12)5-9(4-7)17-11(15,16)10(13)14;1-6(2)7-3-4-9-8(5-7)10(12,13)17-11(14,15)16-9;1-6(2)7-3-4-8-9(5-7)17-11(14,15)10(12,13)16-8;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)8-10-6-4-5-7-11(10)12-3;2*1-8(2)11-6-5-9(3)10(4)7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-9(2)8-11-7-5-4-6-10(11)3;1-7(2)5-8-3-4-9(12)6-10(8)11;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-10(9)11;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;;/h3-5,7,11H,6H2,1-2H3;3-6H,1-2H3;3-6,10H,1-2H3;2*3-6H,1-2H3;3-7,10H,1-2H3;3-5,7,9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3*3-6H,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;2*1H4
InChIKeyLUFYAUPORPUSAR-UHFFFAOYSA-N
XLogP77.24
TPSA154.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds41
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004184.06
LogP ≤ 577.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine?
The IUPAC name of 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine (CID 159458133) is 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine.
What is the SMILES notation for 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine?
The canonical SMILES for 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine is C.C.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1ccc(F)cc1Cl.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1ccccc1F.CC(C)c1cc(C(F)(F)F)ccc1C(F)(F)F.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1cc(F)cc(OC(F)(F)C(F)F)c1.CC(C)c1cc(F)cc(OCC(F)(F)C(F)F)c1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccc2c(c1)C(F)(F)OC(F)(F)O2.CC(C)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(OC(F)(F)C(F)F)c1.CC(C)c1cccc2c1OC(F)(F)O2.COc1ccccc1CC(C)C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)cc1C.Cc1ccc(C(C)C)nc1.Cc1cccc(CC(C)C)c1.Cc1ccccc1CC(C)C.
What is the InChIKey of 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine?
The InChIKey is LUFYAUPORPUSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5O.C11H10F6.C11H11F5O.2C11H10F4O2.C11H12F4O.C11H13N.C11H16O.4C11H16.C10H12ClF.C10H13Cl.2C10H10F4.C10H10F2O2.C10H12F2.C10H13F.C9H13N.C8H10ClN.C8H10FN.2CH4/c1-7(2)8-3-9(13)5-10(4-8)18-6-12(16,17)11(14)15;1-6(2)8-5-7(10(12,13)14)3-4-9(8)11(15,16)17;1-6(2)7-3-8(12)5-9(4-7)17-11(15,16)10(13)14;1-6(2)7-3-4-9-8(5-7)10(12,13)17-11(14,15)16-9;1-6(2)7-3-4-8-9(5-7)17-11(14,15)10(12,13)16-8;1-7(2)8-4-3-5-9(6-8)16-11(14,15)10(12)13;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)8-10-6-4-5-7-11(10)12-3;2*1-8(2)11-6-5-9(3)10(4)7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-9(2)8-11-7-5-4-6-10(11)3;1-7(2)5-8-3-4-9(12)6-10(8)11;1-8(2)6-9-4-3-5-10(11)7-9;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)7-9-5-3-4-6-10(9)11;1-7(2)9-5-4-8(3)6-10-9;2*1-6(2)8-4-3-7(9)5-10-8;;/h3-5,7,11H,6H2,1-2H3;3-6H,1-2H3;3-6,10H,1-2H3;2*3-6H,1-2H3;3-7,10H,1-2H3;3-5,7,9H,6H2,1-2H3;4-7,9H,8H2,1-3H3;2*5-8H,1-4H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3*3-6H,1-2H3;3-4,6-7H,5H2,1-2H3;3-6,8H,7H2,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;2*1H4.
What are the key properties of 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine?
2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine has a molecular weight of 4184.06 g/mol, XLogP of 77.24, 41 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;5-chloro-2-propan-2-ylpyridine;1,2-difluoro-4-(2-methylpropyl)benzene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;bis(1,2-dimethyl-4-propan-2-ylbenzene);1-fluoro-2-(2-methylpropyl)benzene;5-fluoro-2-propan-2-ylpyridine;1-fluoro-3-propan-2-yl-5-(1,1,2,2-tetrafluoroethoxy)benzene;1-fluoro-3-propan-2-yl-5-(2,2,3,3-tetrafluoropropoxy)benzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methoxy-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;5-methyl-2-propan-2-ylpyridine;3-(2-methylpropyl)benzonitrile;2-propan-2-yl-1,4-bis(trifluoromethyl)benzene;1-propan-2-yl-3-(1,1,2,2-tetrafluoroethoxy)benzene;2,2,3,3-tetrafluoro-6-propan-2-yl-1,4-benzodioxine;2,2,4,4-tetrafluoro-6-propan-2-yl-1,3-benzodioxine is sourced from PubChem (CID 159458133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).