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

C6H7F4NO — CID 71420956

IUPAC5-amino-1,1,2,2-tetrafluorohex-4-en-3-one
SMILESCC(N)=CC(=O)C(F)(F)C(F)F
InChIInChI=1S/C6H7F4NO/c1-3(11)2-4(12)6(9,10)5(7)8/h2,5H,11H2,1H3
InChIKeyUNIRIOCDPRENCD-UHFFFAOYSA-N
MW185.12 g/mol
LogP1.32
Rot. Bonds3

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

5-amino-1,1,2,2-tetrafluorohex-4-en-3-one (PubChem CID 71420956) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one.

Molecular Properties

Compound Name5-amino-1,1,2,2-tetrafluorohex-4-en-3-one
PubChem CID71420956
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name5-amino-1,1,2,2-tetrafluorohex-4-en-3-one
SMILESCC(N)=CC(=O)C(F)(F)C(F)F
InChIInChI=1S/C6H7F4NO/c1-3(11)2-4(12)6(9,10)5(7)8/h2,5H,11H2,1H3
InChIKeyUNIRIOCDPRENCD-UHFFFAOYSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-5,5,6,6,7,7,7-heptafluoro-3-hepten-2-one
CID 85443964
(3Z)-4-Amino-1,1,1-trifluoropent-3-en-2-one
CID 12586193
4-Amino-1,1,1-trifluoro-3-penten-2-one
CID 57366078
4-Amino-5,5,5-trifluoropent-3-en-2-one
CID 71405006
(Z)-4-Amino-5,5,5-trifluoro-3-penten-2-one
CID 12586188
4-Amino-5,5,6,6,6-pentafluorohex-3-en-2-one
CID 73176916
4-Amino-1,1-difluoro-3-penten-2-one
CID 76223783
beta-Amino-beta-trifluoromethylvinyl ketone
CID 129879546
(4Z)-5-amino-4-hexen-3-one
CID 21779933
4-Oxo-2-pentene-2-amine, 1,1,1,5,5,5-hexafluoro-, (E)-
CID 5372443
4-Amino-1,1,1,5,5,5-hexafluoropent-3-en-2-one
CID 586812
(Z)-5-amino-6,6-difluorohept-4-en-3-one
CID 172134007

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one?
The IUPAC name of 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one (CID 71420956) is 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one.
What is the SMILES notation for 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one?
The canonical SMILES for 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one is CC(N)=CC(=O)C(F)(F)C(F)F.
What is the InChIKey of 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one?
The InChIKey is UNIRIOCDPRENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO/c1-3(11)2-4(12)6(9,10)5(7)8/h2,5H,11H2,1H3.
What are the key properties of 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one?
5-amino-1,1,2,2-tetrafluorohex-4-en-3-one has a molecular weight of 185.12 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,1,2,2-tetrafluorohex-4-en-3-one is sourced from PubChem (CID 71420956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).