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

C13H10F4O2 — CID 83176081

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol
SMILESOC(Cc1ccco1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H10F4O2/c14-11-4-3-8(13(15,16)17)6-10(11)12(18)7-9-2-1-5-19-9/h1-6,12,18H,7H2
InChIKeyXQNMONFADAHSTK-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.71
Rot. Bonds3

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

1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol (PubChem CID 83176081) has the molecular formula C13H10F4O2 and a molecular weight of 274.21 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol
PubChem CID83176081
Molecular FormulaC13H10F4O2
Molecular Weight274.21 g/mol
Exact Mass274.06
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol
SMILESOC(Cc1ccco1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H10F4O2/c14-11-4-3-8(13(15,16)17)6-10(11)12(18)7-9-2-1-5-19-9/h1-6,12,18H,7H2
InChIKeyXQNMONFADAHSTK-UHFFFAOYSA-N
XLogP3.71
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R)-3-amino-4,4,4-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 171237792
1-(2-fluoro-3-methylphenyl)-2-(furan-2-yl)ethanol
CID 115830188
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
CID 115911628
1-(1-benzofuran-3-yl)-2-(furan-2-yl)ethanol
CID 83171940
(1R,3R)-3-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237638
1-(2,5-dimethylphenyl)-2-(furan-2-yl)ethanol
CID 83172156
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
(1R,3S)-3-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol;hydrochloride
CID 171236723
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820400
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105083868

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol (CID 83176081) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol is OC(Cc1ccco1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol?
The InChIKey is XQNMONFADAHSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4O2/c14-11-4-3-8(13(15,16)17)6-10(11)12(18)7-9-2-1-5-19-9/h1-6,12,18H,7H2.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol has a molecular weight of 274.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-2-yl)ethanol is sourced from PubChem (CID 83176081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).