oxirane;1,1,1,2-tetrafluoroethane

C4H6F4O — CID 121447840

IUPACoxirane;1,1,1,2-tetrafluoroethane
SMILESC1CO1.FCC(F)(F)F
InChIInChI=1S/C2H2F4.C2H4O/c3-1-2(4,5)6;1-2-3-1/h1H2;1-2H2
InChIKeyDPIWLUWKMSDYNS-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.53
Rot. Bonds

About oxirane;1,1,1,2-tetrafluoroethane

oxirane;1,1,1,2-tetrafluoroethane (PubChem CID 121447840) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is oxirane;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Nameoxirane;1,1,1,2-tetrafluoroethane
PubChem CID121447840
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Nameoxirane;1,1,1,2-tetrafluoroethane
SMILESC1CO1.FCC(F)(F)F
InChIInChI=1S/C2H2F4.C2H4O/c3-1-2(4,5)6;1-2-3-1/h1H2;1-2H2
InChIKeyDPIWLUWKMSDYNS-UHFFFAOYSA-N
XLogP1.53
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.53
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 oxirane;1,1,1,2-tetrafluoroethane?
The IUPAC name of oxirane;1,1,1,2-tetrafluoroethane (CID 121447840) is oxirane;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for oxirane;1,1,1,2-tetrafluoroethane?
The canonical SMILES for oxirane;1,1,1,2-tetrafluoroethane is C1CO1.FCC(F)(F)F.
What is the InChIKey of oxirane;1,1,1,2-tetrafluoroethane?
The InChIKey is DPIWLUWKMSDYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4.C2H4O/c3-1-2(4,5)6;1-2-3-1/h1H2;1-2H2.
What are the key properties of oxirane;1,1,1,2-tetrafluoroethane?
oxirane;1,1,1,2-tetrafluoroethane has a molecular weight of 146.08 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 121447840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).