(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one

C4H4F3NO — CID 11116141

IUPAC(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one
SMILESN/C=C\C(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1-
InChIKeyDHJDPIHFALRNER-UPHRSURJSA-N
MW139.08 g/mol
LogP0.59
Rot. Bonds1

About (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one

(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one (PubChem CID 11116141) has the molecular formula C4H4F3NO and a molecular weight of 139.08 g/mol. Its IUPAC name is (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one
PubChem CID11116141
Molecular FormulaC4H4F3NO
Molecular Weight139.08 g/mol
Exact Mass139.02
IUPAC Name(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one
SMILESN/C=C\C(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1-
InChIKeyDHJDPIHFALRNER-UPHRSURJSA-N
XLogP0.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.08
LogP ≤ 50.59
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

3-Buten-2-one, 4-amino-, (E)-
CID 4054588
4-Amino-1,1,1-trifluorobut-3-en-2-one
CID 5709092
(3E)-1,1,1-Trifluoro-4-(methylamino)but-3-EN-2-one
CID 2303875
2-Fluoropyridin-4-ol
CID 2762834
3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3Z)-
CID 2779442
4-Aminobut-3-en-2-one
CID 5998949
(3Z)-4-amino-3-buten-2-one
CID 21765853
1,1,1-Trifluoro-4-(methylamino)but-3-en-2-one
CID 4143957
dimethyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]azanium
CID 178342334
beta-Aminovinyl ketone
CID 55285091
Aminovinyl ketone
CID 76223744
4-(Ethylamino)-1,1,1-trifluoro-3-buten-2-one
CID 14616879

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one?
The IUPAC name of (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one (CID 11116141) is (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one?
The canonical SMILES for (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one is N/C=C\C(=O)C(F)(F)F.
What is the InChIKey of (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one?
The InChIKey is DHJDPIHFALRNER-UPHRSURJSA-N. The full InChI is InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1-.
What are the key properties of (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one?
(Z)-4-amino-1,1,1-trifluorobut-3-en-2-one has a molecular weight of 139.08 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1,1,1-trifluorobut-3-en-2-one is sourced from PubChem (CID 11116141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).