(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one

C6H3F6NO2 — CID 135926805

IUPAC(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one
SMILES[H]/N=C/C(C(=O)C(F)(F)F)=C(\O)C(F)(F)F
InChIInChI=1S/C6H3F6NO2/c7-5(8,9)3(14)2(1-13)4(15)6(10,11)12/h1,13-14H/b3-2+,13-1+
InChIKeyGUVFORVHSUQVTC-FZGUVVAESA-N
MW235.08 g/mol
LogP2.14
Rot. Bonds2

About (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one

(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one (PubChem CID 135926805) has the molecular formula C6H3F6NO2 and a molecular weight of 235.08 g/mol. Its IUPAC name is (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one
PubChem CID135926805
Molecular FormulaC6H3F6NO2
Molecular Weight235.08 g/mol
Exact Mass235.01
IUPAC Name(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one
SMILES[H]/N=C/C(C(=O)C(F)(F)F)=C(\O)C(F)(F)F
InChIInChI=1S/C6H3F6NO2/c7-5(8,9)3(14)2(1-13)4(15)6(10,11)12/h1,13-14H/b3-2+,13-1+
InChIKeyGUVFORVHSUQVTC-FZGUVVAESA-N
XLogP2.14
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,5,5,5-hexafluoro-4-hydroxy-3-(methyliminomethyl)pent-3-en-2-one
CID 136702973
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
ethyl (E)-3-amino-4,4,4-trifluoro-2-methanimidoylbut-2-enoate
CID 89323196
2-iminoacetic acid;methane
CID 174572824
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methylpent-3-en-2-one
CID 134899533
(E)-5-hydroxy-4-methanimidoyl-2,6-dimethylhept-4-en-3-one
CID 135746746
methanimidamide;propan-2-ol;2,2,2-trifluoroacetic acid
CID 175427040
methyl (E)-3-amino-5,5,5-trifluoro-2-methanimidoylpent-2-enoate
CID 169172568
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]pent-3-en-2-one
CID 135753631
methyl (E)-3-amino-5,5,5-trifluoro-2-methanimidoylpent-2-enoate;molecular hydrogen
CID 169172822
5,5,5-trifluoro-4-iminopent-2-enoic acid
CID 155718561
(2-acetyl-4,4,4-trifluoro-3-hydroxybut-2-enylidene)urea
CID 137200138

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one?
The IUPAC name of (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one (CID 135926805) is (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one.
What is the SMILES notation for (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one?
The canonical SMILES for (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one is [H]/N=C/C(C(=O)C(F)(F)F)=C(\O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one?
The InChIKey is GUVFORVHSUQVTC-FZGUVVAESA-N. The full InChI is InChI=1S/C6H3F6NO2/c7-5(8,9)3(14)2(1-13)4(15)6(10,11)12/h1,13-14H/b3-2+,13-1+.
What are the key properties of (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one?
(E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one has a molecular weight of 235.08 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methanimidoylpent-3-en-2-one is sourced from PubChem (CID 135926805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).