1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene

C20H22F2 — CID 22420584

IUPAC1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
SMILESCCC1CCC(c2ccccc2F)(c2ccccc2F)CC1
InChIInChI=1S/C20H22F2/c1-2-15-11-13-20(14-12-15,16-7-3-5-9-18(16)21)17-8-4-6-10-19(17)22/h3-10,15H,2,11-14H2,1H3
InChIKeyJTKLVACMABHMQB-UHFFFAOYSA-N
MW300.39 g/mol
LogP5.85
Rot. Bonds3

About 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene

1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene (PubChem CID 22420584) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
PubChem CID22420584
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
SMILESCCC1CCC(c2ccccc2F)(c2ccccc2F)CC1
InChIInChI=1S/C20H22F2/c1-2-15-11-13-20(14-12-15,16-7-3-5-9-18(16)21)17-8-4-6-10-19(17)22/h3-10,15H,2,11-14H2,1H3
InChIKeyJTKLVACMABHMQB-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene 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 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene?
The IUPAC name of 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene (CID 22420584) is 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene.
What is the SMILES notation for 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene?
The canonical SMILES for 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene is CCC1CCC(c2ccccc2F)(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene?
The InChIKey is JTKLVACMABHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c1-2-15-11-13-20(14-12-15,16-7-3-5-9-18(16)21)17-8-4-6-10-19(17)22/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene?
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene has a molecular weight of 300.39 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene is sourced from PubChem (CID 22420584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).