1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol

C17H18FNO — CID 114601602

IUPAC1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1cccc(C2CCC2)c1)c1ccc(F)cn1
InChIInChI=1S/C17H18FNO/c1-17(20,16-9-8-15(18)11-19-16)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-12,20H,2,4-5H2,1H3
InChIKeyGFONRXADICDVGB-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.74
Rot. Bonds3

About 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol

1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol (PubChem CID 114601602) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
PubChem CID114601602
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
SMILESCC(O)(c1cccc(C2CCC2)c1)c1ccc(F)cn1
InChIInChI=1S/C17H18FNO/c1-17(20,16-9-8-15(18)11-19-16)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-12,20H,2,4-5H2,1H3
InChIKeyGFONRXADICDVGB-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol 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-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The IUPAC name of 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol (CID 114601602) is 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The canonical SMILES for 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol is CC(O)(c1cccc(C2CCC2)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
The InChIKey is GFONRXADICDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-17(20,16-9-8-15(18)11-19-16)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-12,20H,2,4-5H2,1H3.
What are the key properties of 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol?
1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol has a molecular weight of 271.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol is sourced from PubChem (CID 114601602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).