1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol

C9H8F4O2 — CID 54594555

IUPAC1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
SMILESOC(COC(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H8F4O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8,14H,5H2
InChIKeyIGLNTQCRASXSIJ-UHFFFAOYSA-N
MW224.15 g/mol
LogP2.40
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol

1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol (PubChem CID 54594555) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
PubChem CID54594555
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
SMILESOC(COC(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H8F4O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8,14H,5H2
InChIKeyIGLNTQCRASXSIJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-2-(trifluoromethoxy)ethanol
CID 95240913
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
2-(3,4-difluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 109414968
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
2-(3-fluorophenoxy)-1-(2-fluorophenyl)ethanol
CID 110885745
1-(2-fluorophenyl)-2-pyridin-3-yloxyethanol
CID 117243776
4-[2-(2-fluorophenyl)-2-hydroxyethoxy]benzaldehyde
CID 86645072
bis(2-fluorophenyl)methanol
CID 18424663
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol (CID 54594555) is 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol is OC(COC(F)(F)F)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol?
The InChIKey is IGLNTQCRASXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2/c10-7-4-2-1-3-6(7)8(14)5-15-9(11,12)13/h1-4,8,14H,5H2.
What are the key properties of 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol?
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol has a molecular weight of 224.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol is sourced from PubChem (CID 54594555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).