5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene

C31H34F4 — CID 139711127

IUPAC5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
SMILESCCCCC1(F)CCCCC1C(CCF)c1cc(F)c(-c2ccc(-c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C31H34F4/c1-2-3-17-31(35)18-8-7-11-27(31)26(16-19-32)25-20-28(33)30(29(34)21-25)24-14-12-23(13-15-24)22-9-5-4-6-10-22/h4-6,9-10,12-15,20-21,26-27H,2-3,7-8,11,16-19H2,1H3
InChIKeyKINANIAKFVJELO-UHFFFAOYSA-N
MW482.61 g/mol
LogP9.83
Rot. Bonds9

About 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene

5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene (PubChem CID 139711127) has the molecular formula C31H34F4 and a molecular weight of 482.61 g/mol. Its IUPAC name is 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
PubChem CID139711127
Molecular FormulaC31H34F4
Molecular Weight482.61 g/mol
Exact Mass482.26
IUPAC Name5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
SMILESCCCCC1(F)CCCCC1C(CCF)c1cc(F)c(-c2ccc(-c3ccccc3)cc2)c(F)c1
InChIInChI=1S/C31H34F4/c1-2-3-17-31(35)18-8-7-11-27(31)26(16-19-32)25-20-28(33)30(29(34)21-25)24-14-12-23(13-15-24)22-9-5-4-6-10-22/h4-6,9-10,12-15,20-21,26-27H,2-3,7-8,11,16-19H2,1H3
InChIKeyKINANIAKFVJELO-UHFFFAOYSA-N
XLogP9.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(2-butylcyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711149
1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711183
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
CID 139711196
1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
1,2,4,5-tetrafluoro-3-[1-(1-methoxy-2-pentylcyclohexyl)propyl]-6-(4-phenylphenyl)benzene
CID 139711141
1,2,4,5-tetrafluoro-3-[1-[2-pentyl-1-(trifluoromethoxy)cyclohexyl]propyl]-6-(4-phenylphenyl)benzene
CID 139711135
1,2,4,5-tetrafluoro-3-(4-phenylphenyl)-6-[1-[2-propyl-1-(trifluoromethoxy)cyclohexyl]propyl]benzene
CID 139711170
2-(4-butoxyphenyl)-1,3-difluorobenzene
CID 59931484
1-[1-[2-butyl-1-(trifluoromethyl)cyclohexyl]propyl]-2,3,5,6-tetrafluoro-4-(2-fluoro-4-phenylphenyl)benzene
CID 139711119
1,3-difluoro-5-(4-methylcyclohexyl)-2-phenylbenzene
CID 18720868
1,3-difluoro-4,5-dipentyl-2-(4-phenylphenyl)benzene
CID 19107920
[1-fluoro-4-(1-phenylbutyl)cyclohexyl]phosphane
CID 156542653

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene?
The IUPAC name of 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene (CID 139711127) is 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene.
What is the SMILES notation for 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene?
The canonical SMILES for 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene is CCCCC1(F)CCCCC1C(CCF)c1cc(F)c(-c2ccc(-c3ccccc3)cc2)c(F)c1.
What is the InChIKey of 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene?
The InChIKey is KINANIAKFVJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F4/c1-2-3-17-31(35)18-8-7-11-27(31)26(16-19-32)25-20-28(33)30(29(34)21-25)24-14-12-23(13-15-24)22-9-5-4-6-10-22/h4-6,9-10,12-15,20-21,26-27H,2-3,7-8,11,16-19H2,1H3.
What are the key properties of 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene?
5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene has a molecular weight of 482.61 g/mol, XLogP of 9.83, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene is sourced from PubChem (CID 139711127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).