2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene

C28H34F4 — CID 162612861

IUPAC2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C28H34F4/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27(29)18-25)28(30,31)32/h12-22H,2-11H2,1H3
InChIKeyKWNREBLHLWYEOB-UHFFFAOYSA-N
MW446.57 g/mol
LogP9.39
Rot. Bonds5

About 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene

2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene (PubChem CID 162612861) has the molecular formula C28H34F4 and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
PubChem CID162612861
Molecular FormulaC28H34F4
Molecular Weight446.57 g/mol
Exact Mass446.26
IUPAC Name2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C28H34F4/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27(29)18-25)28(30,31)32/h12-22H,2-11H2,1H3
InChIKeyKWNREBLHLWYEOB-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene (CID 162612861) is 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene is CCCC1CCC(C2CCC(c3ccc(-c4ccc(C(F)(F)F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene?
The InChIKey is KWNREBLHLWYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F4/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(27(29)18-25)28(30,31)32/h12-22H,2-11H2,1H3.
What are the key properties of 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene?
2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene has a molecular weight of 446.57 g/mol, XLogP of 9.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 162612861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).