2-(2,2,3,3-tetrafluoropropyl)oxirane

C5H6F4O — CID 54359592

IUPAC2-(2,2,3,3-tetrafluoropropyl)oxirane
SMILESFC(F)C(F)(F)CC1CO1
InChIInChI=1S/C5H6F4O/c6-4(7)5(8,9)1-3-2-10-3/h3-4H,1-2H2
InChIKeyHNSVPZFSEQVKGI-UHFFFAOYSA-N
MW158.09 g/mol
LogP1.68
Rot. Bonds3

About 2-(2,2,3,3-tetrafluoropropyl)oxirane

2-(2,2,3,3-tetrafluoropropyl)oxirane (PubChem CID 54359592) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropyl)oxirane.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropyl)oxirane
PubChem CID54359592
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name2-(2,2,3,3-tetrafluoropropyl)oxirane
SMILESFC(F)C(F)(F)CC1CO1
InChIInChI=1S/C5H6F4O/c6-4(7)5(8,9)1-3-2-10-3/h3-4H,1-2H2
InChIKeyHNSVPZFSEQVKGI-UHFFFAOYSA-N
XLogP1.68
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', '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-(2,2,3,3-tetrafluoropropyl)oxirane?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropyl)oxirane (CID 54359592) is 2-(2,2,3,3-tetrafluoropropyl)oxirane.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropyl)oxirane?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropyl)oxirane is FC(F)C(F)(F)CC1CO1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropyl)oxirane?
The InChIKey is HNSVPZFSEQVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c6-4(7)5(8,9)1-3-2-10-3/h3-4H,1-2H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropyl)oxirane?
2-(2,2,3,3-tetrafluoropropyl)oxirane has a molecular weight of 158.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropyl)oxirane is sourced from PubChem (CID 54359592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).