2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide

C8H7ClF2N2O2 — CID 102724409

IUPAC2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C8H7ClF2N2O2/c9-6-3-4(15-8(10)11)1-2-5(6)7(12)13-14/h1-3,8,14H,(H2,12,13)
InChIKeyBUFLINZQZIWBFI-UHFFFAOYSA-N
MW236.61 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide

2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 102724409) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.61 g/mol. Its IUPAC name is 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID102724409
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.61 g/mol
Exact Mass236.02
IUPAC Name2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C8H7ClF2N2O2/c9-6-3-4(15-8(10)11)1-2-5(6)7(12)13-14/h1-3,8,14H,(H2,12,13)
InChIKeyBUFLINZQZIWBFI-UHFFFAOYSA-N
XLogP2.04
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.61
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
CID 102722285
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
CID 76981546
2-chloro-N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 102724450
2-chloro-N'-hydroxy-4-[3-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 76981418
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide (CID 102724409) is 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OC(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is BUFLINZQZIWBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-6-3-4(15-8(10)11)1-2-5(6)7(12)13-14/h1-3,8,14H,(H2,12,13).
What are the key properties of 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide?
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 236.61 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102724409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).