(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid

C10H8ClF3N2O2 — CID 134113266

IUPAC(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H8ClF3N2O2/c1-5(9(17)18)15-16-6-2-3-8(11)7(4-6)10(12,13)14/h2-4,16H,1H3,(H,17,18)/b15-5+
InChIKeyUSFBWQIIJTWHNQ-PJQLUOCWSA-N
MW280.63 g/mol
LogP3.23
Rot. Bonds3

About (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid

(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid (PubChem CID 134113266) has the molecular formula C10H8ClF3N2O2 and a molecular weight of 280.63 g/mol. Its IUPAC name is (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
PubChem CID134113266
Molecular FormulaC10H8ClF3N2O2
Molecular Weight280.63 g/mol
Exact Mass280.02
IUPAC Name(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid
SMILESC/C(=N\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H8ClF3N2O2/c1-5(9(17)18)15-16-6-2-3-8(11)7(4-6)10(12,13)14/h2-4,16H,1H3,(H,17,18)/b15-5+
InChIKeyUSFBWQIIJTWHNQ-PJQLUOCWSA-N
XLogP3.23
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.63
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
[4-chloro-3-(trifluoromethyl)anilino] benzoate
CID 174783175
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 83661379
4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-(trifluoromethyl)aniline
CID 10549082
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2-(methylamino)propanamide
CID 62834505
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
(E)-4-[4-chloro-3-(trifluoromethyl)anilino]-4-oxobut-2-enoic acid
CID 886533
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61454443

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid?
The IUPAC name of (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid (CID 134113266) is (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid.
What is the SMILES notation for (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid?
The canonical SMILES for (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid is C/C(=N\Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid?
The InChIKey is USFBWQIIJTWHNQ-PJQLUOCWSA-N. The full InChI is InChI=1S/C10H8ClF3N2O2/c1-5(9(17)18)15-16-6-2-3-8(11)7(4-6)10(12,13)14/h2-4,16H,1H3,(H,17,18)/b15-5+.
What are the key properties of (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid?
(2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid has a molecular weight of 280.63 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-chloro-3-(trifluoromethyl)phenyl]hydrazinylidene]propanoic acid is sourced from PubChem (CID 134113266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).