(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide

C5H7F3N2O — CID 135889870

IUPAC(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
SMILESC/N=C(N)/C=C(\O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-10-4(9)2-3(11)5(6,7)8/h2,11H,1H3,(H2,9,10)/b3-2-
InChIKeyVTCMUWYYYYXBDR-IHWYPQMZSA-N
MW168.12 g/mol
LogP0.98
Rot. Bonds1

About (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide

(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide (PubChem CID 135889870) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
PubChem CID135889870
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
SMILESC/N=C(N)/C=C(\O)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-10-4(9)2-3(11)5(6,7)8/h2,11H,1H3,(H2,9,10)/b3-2-
InChIKeyVTCMUWYYYYXBDR-IHWYPQMZSA-N
XLogP0.98
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
CID 149273405
(2Z,4E)-1,1,1-trifluoro-4-(trifluoromethyl)hexa-2,4-dien-2-ol
CID 134221847
cerium;tetrakis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 155886786
bis(iron(3+));tris(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 170920124
copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 58773962
iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one;bis((E)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 159919059
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764
cerium;(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-one
CID 156648922
cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
CID 54669728
(E)-3-bromo-N'-methylbut-2-enimidamide
CID 123167599
ruthenium(3+);tris([(Z)-6,6,6-trifluoro-5-hydroxy-2,2-dimethylhex-4-en-3-ylidene]oxidanium)
CID 22834336

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide (CID 135889870) is (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide is C/N=C(N)/C=C(\O)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide?
The InChIKey is VTCMUWYYYYXBDR-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-10-4(9)2-3(11)5(6,7)8/h2,11H,1H3,(H2,9,10)/b3-2-.
What are the key properties of (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide?
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide has a molecular weight of 168.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide is sourced from PubChem (CID 135889870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).