1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine

C248H332Cl4F15N9O6S — CID 157087551

IUPAC1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(Cl)ccn1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccc(CO)n1.CC(C)c1cccc(F)n1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1OC1CCCC1.CC(C)c1ncccc1F.CCS(=O)(=O)c1ccc(F)c(C(C)C)c1.COc1cc(C)c(C(C)C)cc1C.COc1cccc(C(C)C)c1C.Cc1c(C(C)C)ccc(F)c1F.Cc1cc(F)c(F)cc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)nc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.Cc1cccc(F)c1C(C)C.Cc1cccnc1C(C)C
InChIInChI=1S/C14H15N.C14H20O.C12H13N.C12H18O.C11H15FO2S.C11H16O.3C11H16.2C10H12F2.4C10H13F.C9H10ClF.C9H12ClN.C9H11Cl.C9H10F3N.C9H13NO.C9H13N.C8H10ClN.2C8H10FN.3CH4/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-11(2)13-9-5-6-10-14(13)15-12-7-3-4-8-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-4-15(13,14)9-5-6-11(12)10(7-9)8(2)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-10(12)9(11)4-7(8)3;1-6(2)8-4-5-9(11)10(12)7(8)3;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)10-8(3)5-4-6-9(10)11;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)4-5-8(10)11-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-5-3-4-8(6-11)10-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;;;/h3-11H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-9H,1-2H3;6-8H,1-5H3;5-8H,4H2,1-3H3;5-8H,1-4H3;3*5-8H,1-4H3;2*4-6H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3*3-6H,1-2H3;3*1H4
InChIKeyAEGQTMDLQXFXNW-UHFFFAOYSA-N
MW3994.29 g/mol
LogP77.89
Rot. Bonds32

About 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine

1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 157087551) has the molecular formula C248H332Cl4F15N9O6S and a molecular weight of 3994.29 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID157087551
Molecular FormulaC248H332Cl4F15N9O6S
Molecular Weight3994.29 g/mol
Exact Mass3989.42
IUPAC Name1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESC.C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(Cl)ccn1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccc(CO)n1.CC(C)c1cccc(F)n1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1OC1CCCC1.CC(C)c1ncccc1F.CCS(=O)(=O)c1ccc(F)c(C(C)C)c1.COc1cc(C)c(C(C)C)cc1C.COc1cccc(C(C)C)c1C.Cc1c(C(C)C)ccc(F)c1F.Cc1cc(F)c(F)cc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)nc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.Cc1cccc(F)c1C(C)C.Cc1cccnc1C(C)C
InChIInChI=1S/C14H15N.C14H20O.C12H13N.C12H18O.C11H15FO2S.C11H16O.3C11H16.2C10H12F2.4C10H13F.C9H10ClF.C9H12ClN.C9H11Cl.C9H10F3N.C9H13NO.C9H13N.C8H10ClN.2C8H10FN.3CH4/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-11(2)13-9-5-6-10-14(13)15-12-7-3-4-8-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-4-15(13,14)9-5-6-11(12)10(7-9)8(2)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-10(12)9(11)4-7(8)3;1-6(2)8-4-5-9(11)10(12)7(8)3;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)10-8(3)5-4-6-9(10)11;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)4-5-8(10)11-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-5-3-4-8(6-11)10-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;;;/h3-11H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-9H,1-2H3;6-8H,1-5H3;5-8H,4H2,1-3H3;5-8H,1-4H3;3*5-8H,1-4H3;2*4-6H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3*3-6H,1-2H3;3*1H4
InChIKeyAEGQTMDLQXFXNW-UHFFFAOYSA-N
XLogP77.89
TPSA198.07 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003994.29
LogP ≤ 577.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine (CID 157087551) is 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine is C.C.C.CC(C)c1c(F)cccc1Cl.CC(C)c1cc(C(F)(F)F)ccn1.CC(C)c1cc(Cl)ccn1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc(-c2ccccc2)n1.CC(C)c1cccc(CO)n1.CC(C)c1cccc(F)n1.CC(C)c1ccccc1Cl.CC(C)c1ccccc1OC1CCCC1.CC(C)c1ncccc1F.CCS(=O)(=O)c1ccc(F)c(C(C)C)c1.COc1cc(C)c(C(C)C)cc1C.COc1cccc(C(C)C)c1C.Cc1c(C(C)C)ccc(F)c1F.Cc1cc(F)c(F)cc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C)c(C(C)C)c1.Cc1ccc(Cl)nc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1C.Cc1cccc(C)c1C(C)C.Cc1cccc(F)c1C(C)C.Cc1cccnc1C(C)C.
What is the InChIKey of 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is AEGQTMDLQXFXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C14H20O.C12H13N.C12H18O.C11H15FO2S.C11H16O.3C11H16.2C10H12F2.4C10H13F.C9H10ClF.C9H12ClN.C9H11Cl.C9H10F3N.C9H13NO.C9H13N.C8H10ClN.2C8H10FN.3CH4/c1-11(2)13-9-6-10-14(15-13)12-7-4-3-5-8-12;1-11(2)13-9-5-6-10-14(13)15-12-7-3-4-8-12;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)11-6-10(4)12(13-5)7-9(11)3;1-4-15(13,14)9-5-6-11(12)10(7-9)8(2)3;1-8(2)10-6-5-7-11(12-4)9(10)3;1-8(2)11-7-9(3)5-6-10(11)4;1-8(2)11-7-5-6-9(3)10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-6(2)8-5-10(12)9(11)4-7(8)3;1-6(2)8-4-5-9(11)10(12)7(8)3;2*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)10-8(3)5-4-6-9(10)11;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)9-7(3)4-5-8(10)11-9;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-5-7(3-4-13-8)9(10,11)12;1-7(2)9-5-3-4-8(6-11)10-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)8-5-7(9)3-4-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)7-4-3-5-8(9)10-7;;;/h3-11H,1-2H3;5-6,9-12H,3-4,7-8H2,1-2H3;3-9H,1-2H3;6-8H,1-5H3;5-8H,4H2,1-3H3;5-8H,1-4H3;3*5-8H,1-4H3;2*4-6H,1-3H3;4*4-7H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;3-6H,1-2H3;3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3*3-6H,1-2H3;3*1H4.
What are the key properties of 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine?
1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 3994.29 g/mol, XLogP of 77.89, 32 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-propan-2-ylbenzene;6-chloro-3-methyl-2-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;4-chloro-2-propan-2-ylpyridine;1-cyclopentyloxy-2-propan-2-ylbenzene;1,2-difluoro-3-methyl-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,4-dimethyl-2-propan-2-ylbenzene;4-ethylsulfonyl-1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-methyl-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(4-fluoro-2-methyl-1-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;3-fluoro-2-propan-2-ylpyridine;methane;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-phenyl-6-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;6-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 157087551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).