(3,3,3-trifluoro-2-oxopropyl) hypofluorite

C3H2F4O2 — CID 22889463

IUPAC(3,3,3-trifluoro-2-oxopropyl) hypofluorite
SMILESO=C(COF)C(F)(F)F
InChIInChI=1S/C3H2F4O2/c4-3(5,6)2(8)1-9-7/h1H2
InChIKeyBWPDQFKRYASYDP-UHFFFAOYSA-N
MW146.04 g/mol
LogP1.02
Rot. Bonds2

About (3,3,3-trifluoro-2-oxopropyl) hypofluorite

(3,3,3-trifluoro-2-oxopropyl) hypofluorite (PubChem CID 22889463) has the molecular formula C3H2F4O2 and a molecular weight of 146.04 g/mol. Its IUPAC name is (3,3,3-trifluoro-2-oxopropyl) hypofluorite.

Molecular Properties

Compound Name(3,3,3-trifluoro-2-oxopropyl) hypofluorite
PubChem CID22889463
Molecular FormulaC3H2F4O2
Molecular Weight146.04 g/mol
Exact Mass146.00
IUPAC Name(3,3,3-trifluoro-2-oxopropyl) hypofluorite
SMILESO=C(COF)C(F)(F)F
InChIInChI=1S/C3H2F4O2/c4-3(5,6)2(8)1-9-7/h1H2
InChIKeyBWPDQFKRYASYDP-UHFFFAOYSA-N
XLogP1.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.04
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2-oxopropyl) hypofluorite?
The IUPAC name of (3,3,3-trifluoro-2-oxopropyl) hypofluorite (CID 22889463) is (3,3,3-trifluoro-2-oxopropyl) hypofluorite.
What is the SMILES notation for (3,3,3-trifluoro-2-oxopropyl) hypofluorite?
The canonical SMILES for (3,3,3-trifluoro-2-oxopropyl) hypofluorite is O=C(COF)C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-2-oxopropyl) hypofluorite?
The InChIKey is BWPDQFKRYASYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O2/c4-3(5,6)2(8)1-9-7/h1H2.
What are the key properties of (3,3,3-trifluoro-2-oxopropyl) hypofluorite?
(3,3,3-trifluoro-2-oxopropyl) hypofluorite has a molecular weight of 146.04 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2-oxopropyl) hypofluorite is sourced from PubChem (CID 22889463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).