1-fluoro-2-(5-phenylthiophen-2-yl)ethanol

C12H11FOS — CID 174672041

IUPAC1-fluoro-2-(5-phenylthiophen-2-yl)ethanol
SMILESOC(F)Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H11FOS/c13-12(14)8-10-6-7-11(15-10)9-4-2-1-3-5-9/h1-7,12,14H,8H2
InChIKeyRVFIXNURWHIZCO-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.25
Rot. Bonds3

About 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol

1-fluoro-2-(5-phenylthiophen-2-yl)ethanol (PubChem CID 174672041) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-fluoro-2-(5-phenylthiophen-2-yl)ethanol
PubChem CID174672041
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name1-fluoro-2-(5-phenylthiophen-2-yl)ethanol
SMILESOC(F)Cc1ccc(-c2ccccc2)s1
InChIInChI=1S/C12H11FOS/c13-12(14)8-10-6-7-11(15-10)9-4-2-1-3-5-9/h1-7,12,14H,8H2
InChIKeyRVFIXNURWHIZCO-UHFFFAOYSA-N
XLogP3.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-2-(5-phenylthiophen-2-yl)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-fluoro-2-(5-phenylthiophen-2-yl)ethanol?
The IUPAC name of 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol (CID 174672041) is 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol?
The canonical SMILES for 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol is OC(F)Cc1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol?
The InChIKey is RVFIXNURWHIZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c13-12(14)8-10-6-7-11(15-10)9-4-2-1-3-5-9/h1-7,12,14H,8H2.
What are the key properties of 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol?
1-fluoro-2-(5-phenylthiophen-2-yl)ethanol has a molecular weight of 222.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(5-phenylthiophen-2-yl)ethanol is sourced from PubChem (CID 174672041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).