1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene

C161H200Cl4F10N4O — CID 158057582

IUPAC1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
SMILESCC(C)(C)C(c1ccccc1)c1cccc(Cl)c1.CC(C)(C)C(c1ccccc1)c1cccc(F)c1.CC(C)(C)Cc1ccc(F)c(F)c1.CC(C)(C)Cc1ccc(F)cc1.CC(C)CC1CCCCC1.CC(C)Cc1ccccc1C(F)(F)F.CC(C)[C@@H](c1ccccc1)c1ccncc1.CC(C)[C@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@H](c1ccccc1)c1ccncc1.CC(c1ccc(OC(F)(F)F)cc1)C(C)(C)C.CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C.CCc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C17H19Cl.C17H19F.C16H17Cl.2C15H17N.C13H18Cl2.C13H17F3O.C12H14N2.C11H13F3.C11H14F2.C11H15F.C10H20/c2*1-17(2,3)16(13-8-5-4-6-9-13)14-10-7-11-15(18)12-14;1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;2*1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;1-5-12(13(2,3)4)9-6-10(14)8-11(15)7-9;1-9(12(2,3)4)10-5-7-11(8-6-10)17-13(14,15)16;1-3-11-9-12(13-14(11)2)10-7-5-4-6-8-10;1-8(2)7-9-5-3-4-6-10(9)11(12,13)14;1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-11(2,3)8-9-4-6-10(12)7-5-9;1-9(2)8-10-6-4-3-5-7-10/h2*4-12,16H,1-3H3;3-12,16H,1-2H3;2*3-12,15H,1-2H3;6-8,12H,5H2,1-4H3;5-9H,1-4H3;4-9H,3H2,1-2H3;3-6,8H,7H2,1-2H3;4-6H,7H2,1-3H3;4-7H,8H2,1-3H3;9-10H,3-8H2,1-2H3/t;;16-;2*15-;;;;;;;/m..110......./s1
InChIKeyFKGBQNSHKXMZOX-CJCJYSCMSA-N
MW2539.19 g/mol
LogP50.79
Rot. Bonds25

About 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene

1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene (PubChem CID 158057582) has the molecular formula C161H200Cl4F10N4O and a molecular weight of 2539.19 g/mol. Its IUPAC name is 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
PubChem CID158057582
Molecular FormulaC161H200Cl4F10N4O
Molecular Weight2539.19 g/mol
Exact Mass2535.43
IUPAC Name1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
SMILESCC(C)(C)C(c1ccccc1)c1cccc(Cl)c1.CC(C)(C)C(c1ccccc1)c1cccc(F)c1.CC(C)(C)Cc1ccc(F)c(F)c1.CC(C)(C)Cc1ccc(F)cc1.CC(C)CC1CCCCC1.CC(C)Cc1ccccc1C(F)(F)F.CC(C)[C@@H](c1ccccc1)c1ccncc1.CC(C)[C@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@H](c1ccccc1)c1ccncc1.CC(c1ccc(OC(F)(F)F)cc1)C(C)(C)C.CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C.CCc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C17H19Cl.C17H19F.C16H17Cl.2C15H17N.C13H18Cl2.C13H17F3O.C12H14N2.C11H13F3.C11H14F2.C11H15F.C10H20/c2*1-17(2,3)16(13-8-5-4-6-9-13)14-10-7-11-15(18)12-14;1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;2*1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;1-5-12(13(2,3)4)9-6-10(14)8-11(15)7-9;1-9(12(2,3)4)10-5-7-11(8-6-10)17-13(14,15)16;1-3-11-9-12(13-14(11)2)10-7-5-4-6-8-10;1-8(2)7-9-5-3-4-6-10(9)11(12,13)14;1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-11(2,3)8-9-4-6-10(12)7-5-9;1-9(2)8-10-6-4-3-5-7-10/h2*4-12,16H,1-3H3;3-12,16H,1-2H3;2*3-12,15H,1-2H3;6-8,12H,5H2,1-4H3;5-9H,1-4H3;4-9H,3H2,1-2H3;3-6,8H,7H2,1-2H3;4-6H,7H2,1-3H3;4-7H,8H2,1-3H3;9-10H,3-8H2,1-2H3/t;;16-;2*15-;;;;;;;/m..110......./s1
InChIKeyFKGBQNSHKXMZOX-CJCJYSCMSA-N
XLogP50.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms180
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002539.19
LogP ≤ 550.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene (CID 158057582) is 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene is CC(C)(C)C(c1ccccc1)c1cccc(Cl)c1.CC(C)(C)C(c1ccccc1)c1cccc(F)c1.CC(C)(C)Cc1ccc(F)c(F)c1.CC(C)(C)Cc1ccc(F)cc1.CC(C)CC1CCCCC1.CC(C)Cc1ccccc1C(F)(F)F.CC(C)[C@@H](c1ccccc1)c1ccncc1.CC(C)[C@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@H](c1ccccc1)c1ccncc1.CC(c1ccc(OC(F)(F)F)cc1)C(C)(C)C.CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C.CCc1cc(-c2ccccc2)nn1C.
What is the InChIKey of 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
The InChIKey is FKGBQNSHKXMZOX-CJCJYSCMSA-N. The full InChI is InChI=1S/C17H19Cl.C17H19F.C16H17Cl.2C15H17N.C13H18Cl2.C13H17F3O.C12H14N2.C11H13F3.C11H14F2.C11H15F.C10H20/c2*1-17(2,3)16(13-8-5-4-6-9-13)14-10-7-11-15(18)12-14;1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;2*1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;1-5-12(13(2,3)4)9-6-10(14)8-11(15)7-9;1-9(12(2,3)4)10-5-7-11(8-6-10)17-13(14,15)16;1-3-11-9-12(13-14(11)2)10-7-5-4-6-8-10;1-8(2)7-9-5-3-4-6-10(9)11(12,13)14;1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-11(2,3)8-9-4-6-10(12)7-5-9;1-9(2)8-10-6-4-3-5-7-10/h2*4-12,16H,1-3H3;3-12,16H,1-2H3;2*3-12,15H,1-2H3;6-8,12H,5H2,1-4H3;5-9H,1-4H3;4-9H,3H2,1-2H3;3-6,8H,7H2,1-2H3;4-6H,7H2,1-3H3;4-7H,8H2,1-3H3;9-10H,3-8H2,1-2H3/t;;16-;2*15-;;;;;;;/m..110......./s1.
What are the key properties of 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene?
1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene has a molecular weight of 2539.19 g/mol, XLogP of 50.79, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 158057582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).