1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol

C13H10F4O2 — CID 83175379

IUPAC1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
SMILESOC(Cc1ccoc1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C13H10F4O2/c14-9-1-2-11(13(15,16)17)10(6-9)12(18)5-8-3-4-19-7-8/h1-4,6-7,12,18H,5H2
InChIKeyAMCDFLZTMLDNNK-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.71
Rot. Bonds3

About 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol

1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol (PubChem CID 83175379) has the molecular formula C13H10F4O2 and a molecular weight of 274.21 g/mol. Its IUPAC name is 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
PubChem CID83175379
Molecular FormulaC13H10F4O2
Molecular Weight274.21 g/mol
Exact Mass274.06
IUPAC Name1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
SMILESOC(Cc1ccoc1)c1cc(F)ccc1C(F)(F)F
InChIInChI=1S/C13H10F4O2/c14-9-1-2-11(13(15,16)17)10(6-9)12(18)5-8-3-4-19-7-8/h1-4,6-7,12,18H,5H2
InChIKeyAMCDFLZTMLDNNK-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

N-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83178416
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol
CID 83172736
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-methylpent-4-en-1-ol
CID 114473996
2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 104800488
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131252530
(1S,2R)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131490477
1,2-bis(furan-3-yl)ethanol
CID 83172033
2-(dichloromethyl)-4-fluoro-1-(trifluoromethyl)benzene
CID 11230374
(2S,3S)-3-amino-1,1,1-trifluoro-3-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 171269524
(1R,2S)-1-amino-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171263834
1-(2-aminophenyl)-2-(furan-3-yl)ethanol
CID 83173107

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
The IUPAC name of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol (CID 83175379) is 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol is OC(Cc1ccoc1)c1cc(F)ccc1C(F)(F)F.
What is the InChIKey of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
The InChIKey is AMCDFLZTMLDNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4O2/c14-9-1-2-11(13(15,16)17)10(6-9)12(18)5-8-3-4-19-7-8/h1-4,6-7,12,18H,5H2.
What are the key properties of 1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol?
1-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-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-[5-fluoro-2-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanol is sourced from PubChem (CID 83175379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).