4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride

C8H6ClF2NO2 — CID 86155021

IUPAC4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C8H6ClF2NO2/c9-7(12-13)5-1-3-6(4-2-5)14-8(10)11/h1-4,8,13H
InChIKeyXLWKZPMZTRDSMK-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.66
Rot. Bonds3

About 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride

4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride (PubChem CID 86155021) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
PubChem CID86155021
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride
SMILESON=C(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C8H6ClF2NO2/c9-7(12-13)5-1-3-6(4-2-5)14-8(10)11/h1-4,8,13H
InChIKeyXLWKZPMZTRDSMK-UHFFFAOYSA-N
XLogP2.66
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-hydroxy-4-iodobenzenecarboximidoyl chloride
CID 91621384
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
(1Z)-4-(2-chloroethyl)-N-hydroxybenzenecarboximidoyl chloride
CID 87632893
[4-(difluoromethoxy)phenyl]boronic acid;ethane
CID 169213308
[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
CID 114975163
4-(difluoromethoxy)aniline
CID 737363
(3E)-1-[4-(difluoromethoxy)phenyl]-3-methylhexa-3,5-diene-1,2-dione
CID 145483190
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
N-(2-chloroacetyl)-4-(difluoromethoxy)benzamide
CID 2366971
4-chloro-N'-[1-[4-(difluoromethoxy)phenyl]ethenyl]benzohydrazide
CID 2340459
tert-butyl 3-[C-[4-(difluoromethoxy)phenyl]-N-hydroxycarbonimidoyl]azetidine-1-carboxylate
CID 131741582

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride?
The IUPAC name of 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride (CID 86155021) is 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride.
What is the SMILES notation for 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride?
The canonical SMILES for 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride is ON=C(Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride?
The InChIKey is XLWKZPMZTRDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c9-7(12-13)5-1-3-6(4-2-5)14-8(10)11/h1-4,8,13H.
What are the key properties of 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride?
4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride has a molecular weight of 221.59 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-hydroxybenzenecarboximidoyl chloride is sourced from PubChem (CID 86155021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).