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

C23H27F3 — CID 139711046

IUPAC1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2cc(F)c(-c3cccc(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H27F3/c1-2-4-16-7-9-17(10-8-16)11-12-18-13-21(25)23(22(26)14-18)19-5-3-6-20(24)15-19/h3,5-6,13-17H,2,4,7-12H2,1H3
InChIKeyPWJRHZITFFSJMA-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.31
Rot. Bonds6

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

1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 139711046) has the molecular formula C23H27F3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID139711046
Molecular FormulaC23H27F3
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2cc(F)c(-c3cccc(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H27F3/c1-2-4-16-7-9-17(10-8-16)11-12-18-13-21(25)23(22(26)14-18)19-5-3-6-20(24)15-19/h3,5-6,13-17H,2,4,7-12H2,1H3
InChIKeyPWJRHZITFFSJMA-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]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-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 23297290
1-fluoro-3-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene
CID 18720800
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
CID 139696595
2-(4-chloro-3-fluorophenyl)-1,3-difluoro-5-[2-[4-[2-(4-heptylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54363230
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium(3+)
CID 18720833
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene;yttrium
CID 59931197
CID 23364777
CID 23364777
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
(2R,4aR,8aR)-2-[3,5-difluoro-4-(3-fluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20808942

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene (CID 139711046) is 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene is CCCC1CCC(CCc2cc(F)c(-c3cccc(F)c3)c(F)c2)CC1.
What is the InChIKey of 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is PWJRHZITFFSJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3/c1-2-4-16-7-9-17(10-8-16)11-12-18-13-21(25)23(22(26)14-18)19-5-3-6-20(24)15-19/h3,5-6,13-17H,2,4,7-12H2,1H3.
What are the key properties of 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene?
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 360.46 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 139711046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).