1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene

C16H23F — CID 174725245

IUPAC1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene
SMILESCC1CCC(C(C)c2ccc(F)cc2)CC1C
InChIInChI=1S/C16H23F/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h6-9,11-13,15H,4-5,10H2,1-3H3
InChIKeyLFKMIPILNVNEGK-UHFFFAOYSA-N
MW234.36 g/mol
LogP5.00
Rot. Bonds2

About 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene

1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene (PubChem CID 174725245) has the molecular formula C16H23F and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene
PubChem CID174725245
Molecular FormulaC16H23F
Molecular Weight234.36 g/mol
Exact Mass234.18
IUPAC Name1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene
SMILESCC1CCC(C(C)c2ccc(F)cc2)CC1C
InChIInChI=1S/C16H23F/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h6-9,11-13,15H,4-5,10H2,1-3H3
InChIKeyLFKMIPILNVNEGK-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-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-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene?
The IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene (CID 174725245) is 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene?
The canonical SMILES for 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene is CC1CCC(C(C)c2ccc(F)cc2)CC1C.
What is the InChIKey of 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene?
The InChIKey is LFKMIPILNVNEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h6-9,11-13,15H,4-5,10H2,1-3H3.
What are the key properties of 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene?
1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene has a molecular weight of 234.36 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylcyclohexyl)ethyl]-4-fluorobenzene is sourced from PubChem (CID 174725245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).