4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol

C13H18FNO — CID 104737480

IUPAC4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccncc2F)CC1
InChIInChI=1S/C13H18FNO/c1-2-10-3-6-13(16,7-4-10)11-5-8-15-9-12(11)14/h5,8-10,16H,2-4,6-7H2,1H3
InChIKeyFGGFTAUXSKSEFN-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.01
Rot. Bonds2

About 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol

4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol (PubChem CID 104737480) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
PubChem CID104737480
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
SMILESCCC1CCC(O)(c2ccncc2F)CC1
InChIInChI=1S/C13H18FNO/c1-2-10-3-6-13(16,7-4-10)11-5-8-15-9-12(11)14/h5,8-10,16H,2-4,6-7H2,1H3
InChIKeyFGGFTAUXSKSEFN-UHFFFAOYSA-N
XLogP3.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol 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 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol (CID 104737480) is 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol is CCC1CCC(O)(c2ccncc2F)CC1.
What is the InChIKey of 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol?
The InChIKey is FGGFTAUXSKSEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-10-3-6-13(16,7-4-10)11-5-8-15-9-12(11)14/h5,8-10,16H,2-4,6-7H2,1H3.
What are the key properties of 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol?
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol is sourced from PubChem (CID 104737480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).