(3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane

C3F6O — CID 7158889

IUPAC(3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)[C@]1(F)OC1(F)F
InChIInChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1/t1-/m0/s1
InChIKeyPGFXOWRDDHCDTE-SFOWXEAESA-N
MW166.02 g/mol
LogP1.84
Rot. Bonds

About (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane

(3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane (PubChem CID 7158889) has the molecular formula C3F6O and a molecular weight of 166.02 g/mol. Its IUPAC name is (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane
PubChem CID7158889
Molecular FormulaC3F6O
Molecular Weight166.02 g/mol
Exact Mass165.99
IUPAC Name(3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)[C@]1(F)OC1(F)F
InChIInChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1/t1-/m0/s1
InChIKeyPGFXOWRDDHCDTE-SFOWXEAESA-N
XLogP1.84
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
The IUPAC name of (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane (CID 7158889) is (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane.
What is the SMILES notation for (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
The canonical SMILES for (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane is FC(F)(F)[C@]1(F)OC1(F)F.
What is the InChIKey of (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
The InChIKey is PGFXOWRDDHCDTE-SFOWXEAESA-N. The full InChI is InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1/t1-/m0/s1.
What are the key properties of (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane?
(3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane has a molecular weight of 166.02 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,3-trifluoro-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 7158889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).