(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride

C7H3ClF3NO — CID 134506144

IUPAC(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3ClF3NO/c8-7(12-13)3-1-2-4(9)6(11)5(3)10/h1-2,13H/b12-7+
InChIKeyHIBXJIXVFMBFCX-KPKJPENVSA-N
MW209.55 g/mol
LogP2.48
Rot. Bonds1

About (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride

(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 134506144) has the molecular formula C7H3ClF3NO and a molecular weight of 209.55 g/mol. Its IUPAC name is (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
PubChem CID134506144
Molecular FormulaC7H3ClF3NO
Molecular Weight209.55 g/mol
Exact Mass208.99
IUPAC Name(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3ClF3NO/c8-7(12-13)3-1-2-4(9)6(11)5(3)10/h1-2,13H/b12-7+
InChIKeyHIBXJIXVFMBFCX-KPKJPENVSA-N
XLogP2.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride 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

(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride
CID 126578199
4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772331
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329
(1Z)-3,4-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 126566494
(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 126578214
4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140871500
4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
CID 130174120
(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride
CID 126578212
(1E)-4,5-dichloro-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506140
(1Z)-2-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 87352351
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094

Frequently Asked Questions

What is the IUPAC name of (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride (CID 134506144) is (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride is O/N=C(/Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is HIBXJIXVFMBFCX-KPKJPENVSA-N. The full InChI is InChI=1S/C7H3ClF3NO/c8-7(12-13)3-1-2-4(9)6(11)5(3)10/h1-2,13H/b12-7+.
What are the key properties of (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride?
(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 209.55 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 134506144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).