(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride

C8H6ClF2NO — CID 126578199

IUPAC(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride
SMILESCc1ccc(/C(Cl)=N\O)c(F)c1F
InChIInChI=1S/C8H6ClF2NO/c1-4-2-3-5(8(9)12-13)7(11)6(4)10/h2-3,13H,1H3/b12-8+
InChIKeyNDIXYKFLDBVSLQ-XYOKQWHBSA-N
MW205.59 g/mol
LogP2.65
Rot. Bonds1

About (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride

(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride (PubChem CID 126578199) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride
PubChem CID126578199
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride
SMILESCc1ccc(/C(Cl)=N\O)c(F)c1F
InChIInChI=1S/C8H6ClF2NO/c1-4-2-3-5(8(9)12-13)7(11)6(4)10/h2-3,13H,1H3/b12-8+
InChIKeyNDIXYKFLDBVSLQ-XYOKQWHBSA-N
XLogP2.65
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(1E)-2,3,4-trifluoro-N-hydroxybenzenecarboximidoyl chloride
CID 134506144
4-chloro-2,3-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772331
4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
CID 130174120
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
(1E)-4-chloro-2-fluoro-N-hydroxy-3-propan-2-yloxybenzenecarboximidoyl chloride
CID 126578212
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
4-chloro-3-cyclopropyl-2-fluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140871500
(2,3-difluoro-4-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 107515193
1-[(Z)-5-chloropent-2-en-2-yl]-2,3-difluoro-4-methylbenzene
CID 107514672
3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172

Frequently Asked Questions

What is the IUPAC name of (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The IUPAC name of (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride (CID 126578199) is (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride is Cc1ccc(/C(Cl)=N\O)c(F)c1F.
What is the InChIKey of (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
The InChIKey is NDIXYKFLDBVSLQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-4-2-3-5(8(9)12-13)7(11)6(4)10/h2-3,13H,1H3/b12-8+.
What are the key properties of (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride?
(1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride has a molecular weight of 205.59 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2,3-difluoro-N-hydroxy-4-methylbenzenecarboximidoyl chloride is sourced from PubChem (CID 126578199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).