4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one

C5H3F6NO — CID 586812

IUPAC4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one
SMILESNC(=CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6NO/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H,12H2
InChIKeyAFKNGINHKQDSRW-UHFFFAOYSA-N
MW207.07 g/mol
LogP1.52
Rot. Bonds1

About 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one

4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one (PubChem CID 586812) has the molecular formula C5H3F6NO and a molecular weight of 207.07 g/mol. Its IUPAC name is 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one.

Molecular Properties

Compound Name4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one
PubChem CID586812
Molecular FormulaC5H3F6NO
Molecular Weight207.07 g/mol
Exact Mass207.01
IUPAC Name4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one
SMILESNC(=CC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6NO/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H,12H2
InChIKeyAFKNGINHKQDSRW-UHFFFAOYSA-N
XLogP1.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
The IUPAC name of 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one (CID 586812) is 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one.
What is the SMILES notation for 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
The canonical SMILES for 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one is NC(=CC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
The InChIKey is AFKNGINHKQDSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6NO/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H,12H2.
What are the key properties of 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one?
4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one has a molecular weight of 207.07 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one is sourced from PubChem (CID 586812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).