2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol

C12H9F3O2 — CID 66743675

IUPAC2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol
SMILESOC(c1ccccc1-c1ccco1)C(F)(F)F
InChIInChI=1S/C12H9F3O2/c13-12(14,15)11(16)9-5-2-1-4-8(9)10-6-3-7-17-10/h1-7,11,16H
InChIKeyANDPNMFOMREMQA-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.54
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol

2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol (PubChem CID 66743675) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol
PubChem CID66743675
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol
SMILESOC(c1ccccc1-c1ccco1)C(F)(F)F
InChIInChI=1S/C12H9F3O2/c13-12(14,15)11(16)9-5-2-1-4-8(9)10-6-3-7-17-10/h1-7,11,16H
InChIKeyANDPNMFOMREMQA-UHFFFAOYSA-N
XLogP3.54
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]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 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol (CID 66743675) is 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol is OC(c1ccccc1-c1ccco1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol?
The InChIKey is ANDPNMFOMREMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-12(14,15)11(16)9-5-2-1-4-8(9)10-6-3-7-17-10/h1-7,11,16H.
What are the key properties of 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol?
2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol has a molecular weight of 242.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol is sourced from PubChem (CID 66743675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).