2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane

C5H3F5O — CID 87699877

IUPAC2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane
SMILESC=CC1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C5H3F5O/c1-2-3(6)4(7,11-3)5(8,9)10/h2H,1H2
InChIKeySFSGUIDLDOCDGE-UHFFFAOYSA-N
MW174.07 g/mol
LogP2.10
Rot. Bonds1

About 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane

2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane (PubChem CID 87699877) has the molecular formula C5H3F5O and a molecular weight of 174.07 g/mol. Its IUPAC name is 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane
PubChem CID87699877
Molecular FormulaC5H3F5O
Molecular Weight174.07 g/mol
Exact Mass174.01
IUPAC Name2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane
SMILESC=CC1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C5H3F5O/c1-2-3(6)4(7,11-3)5(8,9)10/h2H,1H2
InChIKeySFSGUIDLDOCDGE-UHFFFAOYSA-N
XLogP2.10
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.07
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane (CID 87699877) is 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane is C=CC1(F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane?
The InChIKey is SFSGUIDLDOCDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O/c1-2-3(6)4(7,11-3)5(8,9)10/h2H,1H2.
What are the key properties of 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane?
2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane has a molecular weight of 174.07 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,3-difluoro-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 87699877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).