1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide

C134H191F4N5O6S3 — CID 162197362

IUPAC1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
SMILESCC1=CC(C(C)C)=CS1(=O)=O.COc1ccc(C(C)C)cc1C.COc1ccc(C)cc1C(C)C.Cc1cc(C(C)C)cc(F)c1CF.Cc1cc(C(C)C)cc(F)c1CO.Cc1cc(C(C)C)ccc1CO.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cs1.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1
InChIInChI=1S/C11H14F2.C11H15FO.3C11H16O.C10H13F.C10H14.4C9H13N.C8H12O2S.C8H12S.C7H11NS/c1-7(2)9-4-8(3)10(6-12)11(13)5-9;1-7(2)9-4-8(3)10(6-13)11(12)5-9;1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)10-7-9(3)5-6-11(10)12-4;1-8(2)10-4-5-11(7-12)9(3)6-10;1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;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)8-4-7(3)11(9,10)5-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7/h4-5,7H,6H2,1-3H3;4-5,7,13H,6H2,1-3H3;2*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyZRCUYUYOHWDUGH-UHFFFAOYSA-N
MW2140.22 g/mol
LogP39.38
Rot. Bonds19

About 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide

1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide (PubChem CID 162197362) has the molecular formula C134H191F4N5O6S3 and a molecular weight of 2140.22 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
PubChem CID162197362
Molecular FormulaC134H191F4N5O6S3
Molecular Weight2140.22 g/mol
Exact Mass2138.39
IUPAC Name1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
SMILESCC1=CC(C(C)C)=CS1(=O)=O.COc1ccc(C(C)C)cc1C.COc1ccc(C)cc1C(C)C.Cc1cc(C(C)C)cc(F)c1CF.Cc1cc(C(C)C)cc(F)c1CO.Cc1cc(C(C)C)ccc1CO.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cs1.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1
InChIInChI=1S/C11H14F2.C11H15FO.3C11H16O.C10H13F.C10H14.4C9H13N.C8H12O2S.C8H12S.C7H11NS/c1-7(2)9-4-8(3)10(6-12)11(13)5-9;1-7(2)9-4-8(3)10(6-13)11(12)5-9;1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)10-7-9(3)5-6-11(10)12-4;1-8(2)10-4-5-11(7-12)9(3)6-10;1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;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)8-4-7(3)11(9,10)5-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7/h4-5,7H,6H2,1-3H3;4-5,7,13H,6H2,1-3H3;2*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeyZRCUYUYOHWDUGH-UHFFFAOYSA-N
XLogP39.38
TPSA157.51 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.22
LogP ≤ 539.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide with MolForge

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Related Compounds

1-(1-tert-butylcyclopropyl)-4-fluorobenzene;2,2-dimethylpropylcyclopropane;1-(2,2-dimethylpropyl)-4-fluorobenzene;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;3-[(2S)-3-methylbutan-2-yl]pyridine;5-[(2S)-3-methylbutan-2-yl]pyridine-2-carbonitrile;2-[(2S)-3-methylbutan-2-yl]-1,3-thiazole;4-[(2S)-3-methylbutan-2-yl]-1,3-thiazole;4-methyl-3-(2-methylpropyl)pyridine;2,2,4,4-tetramethylpentane
CID 157711001
1-(1-tert-butylcyclopropyl)-4-fluorobenzene;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-fluoro-4-(2,3,3-trimethylbutan-2-yl)benzene;4-[(2S)-3-methylbutan-2-yl]benzonitrile;2-[(2S)-3-methylbutan-2-yl]pyridine;4-methyl-3-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2,2,4,4-tetramethylpentane
CID 158773597
1-(1-tert-butylcyclopropyl)-4-fluorobenzene;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene;1-fluoro-4-(2,3,3-trimethylbutan-2-yl)benzene;4-[(2S)-3-methylbutan-2-yl]benzonitrile;3-[(2S)-3-methylbutan-2-yl]pyridine;4-methyl-3-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2,2,4,4-tetramethylpentane
CID 160710026
4-(4-Methoxyphenyl)-2-[4-[[4-[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methylsulfonylmethyl]phenyl]-5-pyridin-4-yl-1,3-thiazole
CID 69731890
4-[2-[6-(3,4-Difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-fluoro-3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]benzonitrile;4-[2-[6-(4-fluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-pyridinyl]phenyl]methanol
CID 157050906
1-Fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;methane;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide
CID 157067225
CID 158186342
CID 158186342
4-[2-cyclopentyl-5-(4-fluorophenyl)-3H-pyrrol-4-yl]pyridine;4-(4-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole;4-[5-(4-fluorophenyl)-2-(3-propan-2-yloxyphenyl)-3H-pyrrol-4-yl]pyridine;2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-1,3-thiazole;4-[2-[4-(2-methylpropyl)phenyl]-3H-pyrrol-4-yl]pyridine
CID 161142597
2-Chloro-4-methyl-1-propan-2-ylbenzene;cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;bis(1,3-dimethyl-2-propan-2-ylbenzene);1,4-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;3,5-dimethyl-4-propan-2-ylpyridine;1-fluoro-3-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;3-fluoro-5-methyl-2-propan-2-ylpyridine;bis(1-fluoro-2-propan-2-ylbenzene);1-fluoro-3-propan-2-ylbenzene;4-fluoro-3-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);4-methyl-2-propan-2-ylthiophene;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;bis(2,4,6-trimethyl-3-propan-2-ylpyridine)
CID 161790734
3-[2-[4-(4-Cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;3-[2-[4-[[4-(4-fluorophenyl)phenyl]methyl]phenyl]ethyl]pyridine;3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine;2-[3-methyl-4-(2-methylphenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;2-methyl-6-(4-phenylphenoxy)-3-(2-pyridin-3-ylethyl)pyridine;5-[4-[[4-methyl-5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole;5-[4-[[6-methyl-5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 164954537
3-[2-[4-(4-Cyclohexylphenoxy)-3-fluorophenyl]ethyl]pyridine;2-[4-(4-fluorophenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;[4-(4-fluorophenyl)phenyl]-[4-(2-pyridin-3-ylethyl)phenyl]methanol;2-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;3-[4-[2-fluoro-4-(2-pyridin-3-ylethyl)phenoxy]phenyl]pyridine;5-[4-[[5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 165010191
2-[4-(4-Fluorophenyl)phenoxy]-4-methyl-5-(2-pyridin-3-ylethyl)pyridine;6-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-(2-pyridin-3-ylethyl)pyridine;3-[2-[4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]phenyl]ethyl]pyridine;3-[2-[4-[[4-(4-fluorophenyl)phenyl]methyl]phenyl]ethyl]pyridine;3-[2-[4-[3-methyl-4-(2-methylphenyl)phenoxy]phenyl]ethyl]pyridine;2-[3-methyl-4-(2-methylphenyl)phenoxy]-5-(2-pyridin-3-ylethyl)pyridine;5-[4-[[4-methyl-5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole;5-[4-[[6-methyl-5-(2-pyridin-3-ylethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazole
CID 165027852

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide (CID 162197362) is 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide is CC1=CC(C(C)C)=CS1(=O)=O.COc1ccc(C(C)C)cc1C.COc1ccc(C)cc1C(C)C.Cc1cc(C(C)C)cc(F)c1CF.Cc1cc(C(C)C)cc(F)c1CO.Cc1cc(C(C)C)ccc1CO.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)cs1.Cc1cc(F)cc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)n1.Cc1ccnc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1csc(C(C)C)n1.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide?
The InChIKey is ZRCUYUYOHWDUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2.C11H15FO.3C11H16O.C10H13F.C10H14.4C9H13N.C8H12O2S.C8H12S.C7H11NS/c1-7(2)9-4-8(3)10(6-12)11(13)5-9;1-7(2)9-4-8(3)10(6-13)11(12)5-9;1-8(2)10-5-6-11(12-4)9(3)7-10;1-8(2)10-7-9(3)5-6-11(10)12-4;1-8(2)10-4-5-11(7-12)9(3)6-10;1-7(2)9-4-8(3)5-10(11)6-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-8(3)5-10-6-9;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)8-4-7(3)11(9,10)5-8;1-6(2)8-4-7(3)9-5-8;1-5(2)7-8-6(3)4-9-7/h4-5,7H,6H2,1-3H3;4-5,7,13H,6H2,1-3H3;2*5-8H,1-4H3;4-6,8,12H,7H2,1-3H3;4-7H,1-3H3;4-8H,1-3H3;4*4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide?
1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide has a molecular weight of 2140.22 g/mol, XLogP of 39.38, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-3-methyl-5-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;(2-fluoro-6-methyl-4-propan-2-ylphenyl)methanol;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;(2-methyl-4-propan-2-ylphenyl)methanol;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-ylthiophene;2-methyl-4-propan-2-ylthiophene 1,1-dioxide is sourced from PubChem (CID 162197362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).