5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene

C30H30F6 — CID 18344427

IUPAC5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
SMILESCCCC1CCC(C(F)(F)Cc2ccc(-c3cc(F)c(-c4ccc(C)c(F)c4)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C30H30F6/c1-3-4-19-6-10-23(11-7-19)30(35,36)17-20-8-12-24(26(32)13-20)22-15-27(33)29(28(34)16-22)21-9-5-18(2)25(31)14-21/h5,8-9,12-16,19,23H,3-4,6-7,10-11,17H2,1-2H3
InChIKeyNKTIPIVHYPQXLP-UHFFFAOYSA-N
MW504.56 g/mol
LogP9.67
Rot. Bonds7

About 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene

5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene (PubChem CID 18344427) has the molecular formula C30H30F6 and a molecular weight of 504.56 g/mol. Its IUPAC name is 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene.

Molecular Properties

Compound Name5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
PubChem CID18344427
Molecular FormulaC30H30F6
Molecular Weight504.56 g/mol
Exact Mass504.23
IUPAC Name5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
SMILESCCCC1CCC(C(F)(F)Cc2ccc(-c3cc(F)c(-c4ccc(C)c(F)c4)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C30H30F6/c1-3-4-19-6-10-23(11-7-19)30(35,36)17-20-8-12-24(26(32)13-20)22-15-27(33)29(28(34)16-22)21-9-5-18(2)25(31)14-21/h5,8-9,12-16,19,23H,3-4,6-7,10-11,17H2,1-2H3
InChIKeyNKTIPIVHYPQXLP-UHFFFAOYSA-N
XLogP9.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.56
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)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

1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
5-[4-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]phenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18344457
1-chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344083
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
5-[4-[difluoro-(4-propylcyclohexyl)methoxy]-2-fluorophenyl]-2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluorobenzene
CID 59247573
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
CID 139696595
1,3-difluoro-5-[2-fluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59246928
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene?
The IUPAC name of 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene (CID 18344427) is 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene.
What is the SMILES notation for 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene?
The canonical SMILES for 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene is CCCC1CCC(C(F)(F)Cc2ccc(-c3cc(F)c(-c4ccc(C)c(F)c4)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene?
The InChIKey is NKTIPIVHYPQXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F6/c1-3-4-19-6-10-23(11-7-19)30(35,36)17-20-8-12-24(26(32)13-20)22-15-27(33)29(28(34)16-22)21-9-5-18(2)25(31)14-21/h5,8-9,12-16,19,23H,3-4,6-7,10-11,17H2,1-2H3.
What are the key properties of 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene?
5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene has a molecular weight of 504.56 g/mol, XLogP of 9.67, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene is sourced from PubChem (CID 18344427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).