4-amino-5,5,5-trifluoropent-3-en-2-one

C5H6F3NO — CID 71405006

IUPAC4-amino-5,5,5-trifluoropent-3-en-2-one
SMILESCC(=O)C=C(N)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-3(10)2-4(9)5(6,7)8/h2H,9H2,1H3
InChIKeyJKHLDBLIRJAFDP-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.98
Rot. Bonds1

About 4-amino-5,5,5-trifluoropent-3-en-2-one

4-amino-5,5,5-trifluoropent-3-en-2-one (PubChem CID 71405006) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 4-amino-5,5,5-trifluoropent-3-en-2-one.

Molecular Properties

Compound Name4-amino-5,5,5-trifluoropent-3-en-2-one
PubChem CID71405006
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name4-amino-5,5,5-trifluoropent-3-en-2-one
SMILESCC(=O)C=C(N)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c1-3(10)2-4(9)5(6,7)8/h2H,9H2,1H3
InChIKeyJKHLDBLIRJAFDP-UHFFFAOYSA-N
XLogP0.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.98
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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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
(Z)-4-Amino-5,5,5-trifluoro-3-penten-2-one
CID 12586188
5-Amino-1,1,2,2-tetrafluorohex-4-en-3-one
CID 71420956
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
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)-5,5,5-trifluoro-4-(methylamino)pent-3-en-2-one
CID 13633959
4-Amino-1,1,1-trifluoro-5,5-dimethylhex-3-en-2-one
CID 86181118

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5,5-trifluoropent-3-en-2-one?
The IUPAC name of 4-amino-5,5,5-trifluoropent-3-en-2-one (CID 71405006) is 4-amino-5,5,5-trifluoropent-3-en-2-one.
What is the SMILES notation for 4-amino-5,5,5-trifluoropent-3-en-2-one?
The canonical SMILES for 4-amino-5,5,5-trifluoropent-3-en-2-one is CC(=O)C=C(N)C(F)(F)F.
What is the InChIKey of 4-amino-5,5,5-trifluoropent-3-en-2-one?
The InChIKey is JKHLDBLIRJAFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3(10)2-4(9)5(6,7)8/h2H,9H2,1H3.
What are the key properties of 4-amino-5,5,5-trifluoropent-3-en-2-one?
4-amino-5,5,5-trifluoropent-3-en-2-one has a molecular weight of 153.10 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5,5-trifluoropent-3-en-2-one is sourced from PubChem (CID 71405006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).