2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene

C24H28F4 — CID 67697847

IUPAC2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
SMILESCCCC1CCC(C(C)Cc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C24H28F4/c1-3-4-16-5-7-18(8-6-16)15(2)11-17-12-22(27)24(23(28)13-17)19-9-10-20(25)21(26)14-19/h9-10,12-16,18H,3-8,11H2,1-2H3
InChIKeyQHENOQLPYXCDRF-UHFFFAOYSA-N
MW392.48 g/mol
LogP7.70
Rot. Bonds6

About 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene

2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene (PubChem CID 67697847) has the molecular formula C24H28F4 and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
PubChem CID67697847
Molecular FormulaC24H28F4
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
SMILESCCCC1CCC(C(C)Cc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C24H28F4/c1-3-4-16-5-7-18(8-6-16)15(2)11-17-12-22(27)24(23(28)13-17)19-9-10-20(25)21(26)14-19/h9-10,12-16,18H,3-8,11H2,1-2H3
InChIKeyQHENOQLPYXCDRF-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]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

2-(3,4-difluorophenyl)-5-[2-(4-ethylcyclohexyl)propyl]-1,3-difluorobenzene
CID 139708699
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846
4-[2-(4-butylcyclohexyl)propyl]-1-(3,4-difluorophenyl)-2-fluorobenzene
CID 139708964
2-chloro-5-[4-[2-(4-ethylcyclohexyl)propyl]-2,6-difluorophenyl]-1,3-difluorobenzene
CID 139708610
1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
CID 139710818
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]-2-[2-(3,4,5-trifluorophenyl)ethynyl]benzene
CID 139708903
2-fluoro-1-[2-(4-fluorophenyl)ethynyl]-4-[2-(4-propylcyclohexyl)propyl]benzene
CID 139708613
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
CID 139696595
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene (CID 67697847) is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene is CCCC1CCC(C(C)Cc2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
The InChIKey is QHENOQLPYXCDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4/c1-3-4-16-5-7-18(8-6-16)15(2)11-17-12-22(27)24(23(28)13-17)19-9-10-20(25)21(26)14-19/h9-10,12-16,18H,3-8,11H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene?
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene has a molecular weight of 392.48 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene is sourced from PubChem (CID 67697847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).