1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite

C4H3F5O — CID 166497920

IUPAC1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite
SMILESC=CC(F)(OF)C(F)(F)F
InChIInChI=1S/C4H3F5O/c1-2-3(5,10-9)4(6,7)8/h2H,1H2
InChIKeyXKOISEBFOCBYOD-UHFFFAOYSA-N
MW162.06 g/mol
LogP2.30
Rot. Bonds2

About 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite

1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite (PubChem CID 166497920) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite.

Molecular Properties

Compound Name1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite
PubChem CID166497920
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite
SMILESC=CC(F)(OF)C(F)(F)F
InChIInChI=1S/C4H3F5O/c1-2-3(5,10-9)4(6,7)8/h2H,1H2
InChIKeyXKOISEBFOCBYOD-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite?
The IUPAC name of 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite (CID 166497920) is 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite.
What is the SMILES notation for 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite?
The canonical SMILES for 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite is C=CC(F)(OF)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite?
The InChIKey is XKOISEBFOCBYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O/c1-2-3(5,10-9)4(6,7)8/h2H,1H2.
What are the key properties of 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite?
1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite has a molecular weight of 162.06 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluorobut-3-en-2-yl hypofluorite is sourced from PubChem (CID 166497920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).