(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one

C5H7F3N2O — CID 20694177

IUPAC(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one
SMILESCC(=O)C/C(=N/N)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-3(11)2-4(10-9)5(6,7)8/h2,9H2,1H3/b10-4-
InChIKeyCEKVGUMPIVFIBZ-WMZJFQQLSA-N
MW168.12 g/mol
LogP0.84
Rot. Bonds2

About (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one

(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one (PubChem CID 20694177) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one.

Molecular Properties

Compound Name(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one
PubChem CID20694177
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one
SMILESCC(=O)C/C(=N/N)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-3(11)2-4(10-9)5(6,7)8/h2,9H2,1H3/b10-4-
InChIKeyCEKVGUMPIVFIBZ-WMZJFQQLSA-N
XLogP0.84
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

pentane-2,4-dione;2,2,2-trifluoroacetic acid
CID 161201748
CID 158271114
CID 158271114
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
methane;1,1,1-trifluoropentane-2,4-dione
CID 160600044
silver pentane-2,4-dione
CID 21252539
lithium;hydride;1,1,1-trifluoropentane-2,4-dione
CID 173192040
Lithium pentane-2,4-dione
CID 86735745
guanidine;1,1,1-trifluoropropan-2-one
CID 161240070
CID 15855332
CID 15855332
CID 159548628
CID 159548628
CID 87073525
CID 87073525

Frequently Asked Questions

What is the IUPAC name of (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one?
The IUPAC name of (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one (CID 20694177) is (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one.
What is the SMILES notation for (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one?
The canonical SMILES for (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one is CC(=O)C/C(=N/N)C(F)(F)F.
What is the InChIKey of (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one?
The InChIKey is CEKVGUMPIVFIBZ-WMZJFQQLSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-3(11)2-4(10-9)5(6,7)8/h2,9H2,1H3/b10-4-.
What are the key properties of (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one?
(4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one has a molecular weight of 168.12 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5,5,5-trifluoro-4-hydrazinylidenepentan-2-one is sourced from PubChem (CID 20694177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).