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

C123H189F8N5O2S2 — CID 160710026

IUPAC1-(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
SMILESCC(C)(C)C(C)(C)c1ccc(F)cc1.CC(C)(C)C1(c2ccc(F)cc2)CC1.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)[C@H](C)c1ccc(C#N)cc1.CC(C)[C@H](C)c1cccnc1.Cc1ccncc1CC(C)C
InChIInChI=1S/C13H17F.C13H19F.C12H15F3O.C12H15F3.C12H15N.2C10H15N.C10H20O.C9H20.C8H16.2C7H11NS/c1-12(2,3)13(8-9-13)10-4-6-11(14)7-5-10;1-12(2,3)13(4,5)10-6-8-11(14)9-7-10;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15;1-9(2)10(3)12-6-4-11(8-13)5-7-12;1-8(2)6-10-7-11-5-4-9(10)3;1-8(2)9(3)10-5-4-6-11-7-10;1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)7-9(4,5)6;1-8(2,3)6-7-4-5-7;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-8-3-4-9-7/h4-7H,8-9H2,1-3H3;6-9H,1-5H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7,9-10H,1-3H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;9H,4-8H2,1-3H3;7H2,1-6H3;7H,4-6H2,1-3H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;10-;;9-;;;;;/m....0.0...../s1
InChIKeyRRSTVIYNIPABHX-FRKIJGLNSA-N
MW1986.02 g/mol
LogP39.10
Rot. Bonds17

About 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

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 (PubChem CID 160710026) has the molecular formula C123H189F8N5O2S2 and a molecular weight of 1986.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID160710026
Molecular FormulaC123H189F8N5O2S2
Molecular Weight1986.02 g/mol
Exact Mass1984.42
IUPAC Name1-(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
SMILESCC(C)(C)C(C)(C)c1ccc(F)cc1.CC(C)(C)C1(c2ccc(F)cc2)CC1.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)[C@H](C)c1ccc(C#N)cc1.CC(C)[C@H](C)c1cccnc1.Cc1ccncc1CC(C)C
InChIInChI=1S/C13H17F.C13H19F.C12H15F3O.C12H15F3.C12H15N.2C10H15N.C10H20O.C9H20.C8H16.2C7H11NS/c1-12(2,3)13(8-9-13)10-4-6-11(14)7-5-10;1-12(2,3)13(4,5)10-6-8-11(14)9-7-10;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15;1-9(2)10(3)12-6-4-11(8-13)5-7-12;1-8(2)6-10-7-11-5-4-9(10)3;1-8(2)9(3)10-5-4-6-11-7-10;1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)7-9(4,5)6;1-8(2,3)6-7-4-5-7;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-8-3-4-9-7/h4-7H,8-9H2,1-3H3;6-9H,1-5H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7,9-10H,1-3H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;9H,4-8H2,1-3H3;7H2,1-6H3;7H,4-6H2,1-3H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;10-;;9-;;;;;/m....0.0...../s1
InChIKeyRRSTVIYNIPABHX-FRKIJGLNSA-N
XLogP39.10
TPSA93.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001986.02
LogP ≤ 539.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-(Butylsulfanylmethylsulfanyl)-5-[6-(butylsulfanylmethylsulfanyl)-5-cyano-4-[4-(2-fluoroethoxy)phenyl]-2-(1,3-thiazol-2-yl)-3-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-thiazol-2-yl)pyridine-3-carbonitrile
CID 140311147
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;2-tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole;1-tert-butyl-3-ethylbenzene;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1,3-ditert-butylbenzene;methane
CID 157167380
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-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;bis(1-tert-butyl-3-propan-2-ylbenzene);1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1-ethyl-3-propan-2-ylbenzene;methane
CID 158563667
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-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;2-tert-butylpyridine-4-carbonitrile;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane
CID 159338339
1-(1-tert-butylcyclopentyl)-3-propan-2-ylbenzene;1-(1-tert-butylcyclopropyl)-3-propan-2-ylbenzene;1-tert-butyl-3-[(2R)-3,3-dimethylbutan-2-yl]benzene;1-cyclopropyl-3-[(2R)-3,3-dimethylbutan-2-yl]benzene;1-[(1R)-1-cyclopropyl-2,2-dimethylpropyl]-3-propan-2-ylbenzene;[(2R)-3,3-dimethylbutan-2-yl]benzene;1-[(2R)-3,3-dimethylbutan-2-yl]-3-methoxybenzene;2-[(2R)-3,3-dimethylbutan-2-yl]-4-methyl-1,3-thiazole;1-[(2R)-3,3-dimethylbutan-2-yl]-3-propan-2-ylbenzene;3-[(2R)-3,3-dimethylbutan-2-yl]pyridine;1-[(3S)-4,4-dimethylpent-1-yn-3-yl]-3-propan-2-ylbenzene;1-propan-2-yl-3-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzene
CID 159976494
1-Tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;2-tert-butyl-4-methylpyridine;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-(1,1-difluoroethoxy)-3-propan-2-ylbenzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane
CID 160030921
1-Chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;3-methyl-3-(2-methylpropyl)oxetane;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 160718001
CID 160825286
CID 160825286
1-Tert-butyl-3-(1,1-difluoroethoxy)benzene;1-tert-butyl-3-(1,1-difluoroethyl)-5-fluorobenzene;1-tert-butyl-3-ethoxybenzene;2-tert-butyl-4-ethoxypyridine;1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene;1-tert-butyl-3-propan-2-ylbenzene;1-tert-butyl-3-propan-2-yloxybenzene;2-tert-butylpyridine-4-carbonitrile;1-tert-butyl-3-(trifluoromethyl)benzene;5-(1,1-difluoroethyl)-2-propan-2-yl-1,3-thiazole;1,3-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane
CID 161019973
1-(1-tert-butylcyclopropyl)-4-fluorobenzene;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)oxane;1-(2,2-dimethylpropyl)-4-(trifluoromethoxy)benzene;1-fluoro-4-(2,3,3-trimethylbutan-2-yl)benzene;2-[(2S)-3-methylbutan-2-yl]pyridine;6-[(2S)-3-methylbutan-2-yl]pyridine-3-carbonitrile;4-methyl-3-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2,2,4,4-tetramethylpentane
CID 161412471

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(C)(C)c1ccc(F)cc1.CC(C)(C)C1(c2ccc(F)cc2)CC1.CC(C)(C)CC(C)(C)C.CC(C)(C)CC1CC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc(C(F)(F)F)cc1.CC(C)(C)Cc1ccc(OC(F)(F)F)cc1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)[C@H](C)c1ccc(C#N)cc1.CC(C)[C@H](C)c1cccnc1.Cc1ccncc1CC(C)C.
What is the InChIKey of 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?
The InChIKey is RRSTVIYNIPABHX-FRKIJGLNSA-N. The full InChI is InChI=1S/C13H17F.C13H19F.C12H15F3O.C12H15F3.C12H15N.2C10H15N.C10H20O.C9H20.C8H16.2C7H11NS/c1-12(2,3)13(8-9-13)10-4-6-11(14)7-5-10;1-12(2,3)13(4,5)10-6-8-11(14)9-7-10;1-11(2,3)8-9-4-6-10(7-5-9)16-12(13,14)15;1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15;1-9(2)10(3)12-6-4-11(8-13)5-7-12;1-8(2)6-10-7-11-5-4-9(10)3;1-8(2)9(3)10-5-4-6-11-7-10;1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)7-9(4,5)6;1-8(2,3)6-7-4-5-7;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-8-3-4-9-7/h4-7H,8-9H2,1-3H3;6-9H,1-5H3;4-7H,8H2,1-3H3;4-7H,8H2,1-3H3;4-7,9-10H,1-3H3;4-5,7-8H,6H2,1-3H3;4-9H,1-3H3;9H,4-8H2,1-3H3;7H2,1-6H3;7H,4-6H2,1-3H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3/t;;;;10-;;9-;;;;;/m....0.0...../s1.
What are the key properties of 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?
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 has a molecular weight of 1986.02 g/mol, XLogP of 39.10, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160710026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).