[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite

C6H6F5NO2 — CID 166497913

IUPAC[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
SMILESC=CCNC(=O)C(F)(OF)C(F)(F)F
InChIInChI=1S/C6H6F5NO2/c1-2-3-12-4(13)5(7,14-11)6(8,9)10/h2H,1,3H2,(H,12,13)
InChIKeyCLRJJGRRTVXECT-UHFFFAOYSA-N
MW219.11 g/mol
LogP1.42
Rot. Bonds4

About [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite

[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite (PubChem CID 166497913) has the molecular formula C6H6F5NO2 and a molecular weight of 219.11 g/mol. Its IUPAC name is [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
PubChem CID166497913
Molecular FormulaC6H6F5NO2
Molecular Weight219.11 g/mol
Exact Mass219.03
IUPAC Name[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite
SMILESC=CCNC(=O)C(F)(OF)C(F)(F)F
InChIInChI=1S/C6H6F5NO2/c1-2-3-12-4(13)5(7,14-11)6(8,9)10/h2H,1,3H2,(H,12,13)
InChIKeyCLRJJGRRTVXECT-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite (CID 166497913) is [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite is C=CCNC(=O)C(F)(OF)C(F)(F)F.
What is the InChIKey of [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite?
The InChIKey is CLRJJGRRTVXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F5NO2/c1-2-3-12-4(13)5(7,14-11)6(8,9)10/h2H,1,3H2,(H,12,13).
What are the key properties of [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite?
[1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite has a molecular weight of 219.11 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2-tetrafluoro-3-oxo-3-(prop-2-enylamino)propan-2-yl] hypofluorite is sourced from PubChem (CID 166497913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).