1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol

C13H11F3O2 — CID 62500368

IUPAC1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H11F3O2/c1-8(17)11-6-7-12(18-11)9-4-2-3-5-10(9)13(14,15)16/h2-8,17H,1H3
InChIKeyYAVHPGREEBDBIV-UHFFFAOYSA-N
MW256.22 g/mol
LogP4.02
Rot. Bonds2

About 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol

1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol (PubChem CID 62500368) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
PubChem CID62500368
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol
SMILESCC(O)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H11F3O2/c1-8(17)11-6-7-12(18-11)9-4-2-3-5-10(9)13(14,15)16/h2-8,17H,1H3
InChIKeyYAVHPGREEBDBIV-UHFFFAOYSA-N
XLogP4.02
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
The IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol (CID 62500368) is 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol.
What is the SMILES notation for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
The canonical SMILES for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol is CC(O)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
The InChIKey is YAVHPGREEBDBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2/c1-8(17)11-6-7-12(18-11)9-4-2-3-5-10(9)13(14,15)16/h2-8,17H,1H3.
What are the key properties of 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol?
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol has a molecular weight of 256.22 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethanol is sourced from PubChem (CID 62500368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).