2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane

C5H6F4O — CID 166817908

IUPAC2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane
SMILESCC1(F)OC1(C)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-3(5(7,8)9)4(2,6)10-3/h1-2H3
InChIKeyYQPWODRBYNPYHG-UHFFFAOYSA-N
MW158.09 g/mol
LogP2.02
Rot. Bonds

About 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane

2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane (PubChem CID 166817908) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane
PubChem CID166817908
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane
SMILESCC1(F)OC1(C)C(F)(F)F
InChIInChI=1S/C5H6F4O/c1-3(5(7,8)9)4(2,6)10-3/h1-2H3
InChIKeyYQPWODRBYNPYHG-UHFFFAOYSA-N
XLogP2.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 52.02
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-2,3-dimethyl-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane (CID 166817908) is 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane is CC1(F)OC1(C)C(F)(F)F.
What is the InChIKey of 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane?
The InChIKey is YQPWODRBYNPYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-3(5(7,8)9)4(2,6)10-3/h1-2H3.
What are the key properties of 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane?
2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane has a molecular weight of 158.09 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3-dimethyl-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 166817908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).