3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene

C22H24F4 — CID 141298353

IUPAC3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene
SMILESCCCC1(c2ccc(C(F)(F)F)c(F)c2-c2ccccc2)CCCCC1
InChIInChI=1S/C22H24F4/c1-2-13-21(14-7-4-8-15-21)17-11-12-18(22(24,25)26)20(23)19(17)16-9-5-3-6-10-16/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3
InChIKeyLNPKEBOIDUBQFQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP7.51
Rot. Bonds4

About 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene

3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene (PubChem CID 141298353) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene
PubChem CID141298353
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene
SMILESCCCC1(c2ccc(C(F)(F)F)c(F)c2-c2ccccc2)CCCCC1
InChIInChI=1S/C22H24F4/c1-2-13-21(14-7-4-8-15-21)17-11-12-18(22(24,25)26)20(23)19(17)16-9-5-3-6-10-16/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3
InChIKeyLNPKEBOIDUBQFQ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-propylcyclohexyl)benzoic acid
CID 174854619
1-[1-(bromomethyl)cyclopentyl]-2-(trifluoromethyl)benzene
CID 172860633
1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene
CID 23219386
[1-[2,3-dimethoxy-4-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117488347
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
6-[1-(aminomethyl)cyclohexyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117488343
2-(1-pentylcyclohexyl)benzoic acid
CID 22401965
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclohexyl]methanamine
CID 117431185
4-[1-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]butylsilane
CID 137329332
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 117396517
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene (CID 141298353) is 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene is CCCC1(c2ccc(C(F)(F)F)c(F)c2-c2ccccc2)CCCCC1.
What is the InChIKey of 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene?
The InChIKey is LNPKEBOIDUBQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4/c1-2-13-21(14-7-4-8-15-21)17-11-12-18(22(24,25)26)20(23)19(17)16-9-5-3-6-10-16/h3,5-6,9-12H,2,4,7-8,13-15H2,1H3.
What are the key properties of 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene?
3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene has a molecular weight of 364.43 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenyl-1-(1-propylcyclohexyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 141298353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).