1-[3-(trifluoromethyl)oxiran-2-yl]ethanol

C5H7F3O2 — CID 86012116

IUPAC1-[3-(trifluoromethyl)oxiran-2-yl]ethanol
SMILESCC(O)C1OC1C(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-2(9)3-4(10-3)5(6,7)8/h2-4,9H,1H3
InChIKeyJYKYBUBLIINYGC-UHFFFAOYSA-N
MW156.10 g/mol
LogP0.70
Rot. Bonds1

About 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol

1-[3-(trifluoromethyl)oxiran-2-yl]ethanol (PubChem CID 86012116) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)oxiran-2-yl]ethanol
PubChem CID86012116
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name1-[3-(trifluoromethyl)oxiran-2-yl]ethanol
SMILESCC(O)C1OC1C(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-2(9)3-4(10-3)5(6,7)8/h2-4,9H,1H3
InChIKeyJYKYBUBLIINYGC-UHFFFAOYSA-N
XLogP0.70
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol?
The IUPAC name of 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol (CID 86012116) is 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol.
What is the SMILES notation for 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol?
The canonical SMILES for 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol is CC(O)C1OC1C(F)(F)F.
What is the InChIKey of 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol?
The InChIKey is JYKYBUBLIINYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-2(9)3-4(10-3)5(6,7)8/h2-4,9H,1H3.
What are the key properties of 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol?
1-[3-(trifluoromethyl)oxiran-2-yl]ethanol has a molecular weight of 156.10 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)oxiran-2-yl]ethanol is sourced from PubChem (CID 86012116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).