2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane

C5H3F7O — CID 21406900

IUPAC2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane
SMILESCC1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2(4(7,8)9)3(6,13-2)5(10,11)12/h1H3
InChIKeyMFPYXEJIEIKMTL-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.57
Rot. Bonds

About 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane

2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane (PubChem CID 21406900) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane
PubChem CID21406900
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane
SMILESCC1(C(F)(F)F)OC1(F)C(F)(F)F
InChIInChI=1S/C5H3F7O/c1-2(4(7,8)9)3(6,13-2)5(10,11)12/h1H3
InChIKeyMFPYXEJIEIKMTL-UHFFFAOYSA-N
XLogP2.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.57
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 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane (CID 21406900) is 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane is CC1(C(F)(F)F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is MFPYXEJIEIKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-2(4(7,8)9)3(6,13-2)5(10,11)12/h1H3.
What are the key properties of 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane?
2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 212.06 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 21406900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).