1-fluoro-1-(trifluoromethoxy)ethanol

C3H4F4O2 — CID 173372394

IUPAC1-fluoro-1-(trifluoromethoxy)ethanol
SMILESCC(O)(F)OC(F)(F)F
InChIInChI=1S/C3H4F4O2/c1-2(4,8)9-3(5,6)7/h8H,1H3
InChIKeyAPYZFTKDAJYRTM-UHFFFAOYSA-N
MW148.05 g/mol
LogP1.16
Rot. Bonds1

About 1-fluoro-1-(trifluoromethoxy)ethanol

1-fluoro-1-(trifluoromethoxy)ethanol (PubChem CID 173372394) has the molecular formula C3H4F4O2 and a molecular weight of 148.05 g/mol. Its IUPAC name is 1-fluoro-1-(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name1-fluoro-1-(trifluoromethoxy)ethanol
PubChem CID173372394
Molecular FormulaC3H4F4O2
Molecular Weight148.05 g/mol
Exact Mass148.01
IUPAC Name1-fluoro-1-(trifluoromethoxy)ethanol
SMILESCC(O)(F)OC(F)(F)F
InChIInChI=1S/C3H4F4O2/c1-2(4,8)9-3(5,6)7/h8H,1H3
InChIKeyAPYZFTKDAJYRTM-UHFFFAOYSA-N
XLogP1.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.05
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(trifluoromethoxy)ethanol?
The IUPAC name of 1-fluoro-1-(trifluoromethoxy)ethanol (CID 173372394) is 1-fluoro-1-(trifluoromethoxy)ethanol.
What is the SMILES notation for 1-fluoro-1-(trifluoromethoxy)ethanol?
The canonical SMILES for 1-fluoro-1-(trifluoromethoxy)ethanol is CC(O)(F)OC(F)(F)F.
What is the InChIKey of 1-fluoro-1-(trifluoromethoxy)ethanol?
The InChIKey is APYZFTKDAJYRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F4O2/c1-2(4,8)9-3(5,6)7/h8H,1H3.
What are the key properties of 1-fluoro-1-(trifluoromethoxy)ethanol?
1-fluoro-1-(trifluoromethoxy)ethanol has a molecular weight of 148.05 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(trifluoromethoxy)ethanol is sourced from PubChem (CID 173372394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).