2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide

C9H8ClF3N2O — CID 142465588

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc(C(F)(F)F)c1Cl)=N\O
InChIInChI=1S/C9H8ClF3N2O/c10-8-5(4-7(14)15-16)2-1-3-6(8)9(11,12)13/h1-3,16H,4H2,(H2,14,15)
InChIKeyVNVGCXJQQYZQEA-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.65
Rot. Bonds2

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide

2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide (PubChem CID 142465588) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
PubChem CID142465588
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc(C(F)(F)F)c1Cl)=N\O
InChIInChI=1S/C9H8ClF3N2O/c10-8-5(4-7(14)15-16)2-1-3-6(8)9(11,12)13/h1-3,16H,4H2,(H2,14,15)
InChIKeyVNVGCXJQQYZQEA-UHFFFAOYSA-N
XLogP2.65
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 83295681
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
2-(3-chlorophenyl)-N'-hydroxyethanimidamide
CID 16775239
[2-chloro-3-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 119001005
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
N'-hydroxy-2-quinolin-8-ylethanimidamide
CID 53412326
2-chloro-N'-[2-(methylsulfanylmethyl)-6-(trifluoromethyl)phenyl]ethanimidamide
CID 169366535
1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyridine-4-carboxamide
CID 174687552
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide (CID 142465588) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide is N/C(Cc1cccc(C(F)(F)F)c1Cl)=N\O.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
The InChIKey is VNVGCXJQQYZQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-8-5(4-7(14)15-16)2-1-3-6(8)9(11,12)13/h1-3,16H,4H2,(H2,14,15).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide?
2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide has a molecular weight of 252.62 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 142465588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).