(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride

C8H6ClF2NO — CID 106892111

IUPAC(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1cccc(C(F)F)c1
InChIInChI=1S/C8H6ClF2NO/c9-7(12-13)5-2-1-3-6(4-5)8(10)11/h1-4,8,13H/b12-7+
InChIKeyPZSMXLITFQESBE-KPKJPENVSA-N
MW205.59 g/mol
LogP3.00
Rot. Bonds2

About (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride

(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 106892111) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride
PubChem CID106892111
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride
SMILESO/N=C(/Cl)c1cccc(C(F)F)c1
InChIInChI=1S/C8H6ClF2NO/c9-7(12-13)5-2-1-3-6(4-5)8(10)11/h1-4,8,13H/b12-7+
InChIKeyPZSMXLITFQESBE-KPKJPENVSA-N
XLogP3.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 53.00
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

3-(difluoromethyl)benzoyl chloride
CID 58552883
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
CID 168961119
1-[3-(difluoromethyl)phenyl]propan-1-one
CID 118813274
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
methyl 3-[(E)-C-chloro-N-hydroxycarbonimidoyl]benzoate
CID 87739837
(1E)-N-hydroxy-4-propan-2-ylbenzenecarboximidoyl chloride
CID 88830751
(1Z)-3-ethoxy-N-hydroxybenzenecarboximidoyl chloride
CID 12024113
4-[3-(difluoromethyl)phenyl]-2,3-dimethyl-4-oxobutanoic acid
CID 113329072
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
3-[(1R)-1-aminoethyl]-N'-hydroxybenzenecarboximidamide
CID 172793905
N'-hydroxy-3-(1-hydroxyethyl)benzenecarboximidamide
CID 87091093
4-[3-(difluoromethyl)phenyl]-4-oxobutanenitrile
CID 115527588

Frequently Asked Questions

What is the IUPAC name of (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride (CID 106892111) is (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride is O/N=C(/Cl)c1cccc(C(F)F)c1.
What is the InChIKey of (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is PZSMXLITFQESBE-KPKJPENVSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c9-7(12-13)5-2-1-3-6(4-5)8(10)11/h1-4,8,13H/b12-7+.
What are the key properties of (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride?
(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 205.59 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 106892111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).