2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide

C9H9ClF2N2O2 — CID 156545753

IUPAC2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide
SMILESCOc1ccc(C(F)(F)/C(N)=N/O)cc1Cl
InChIInChI=1S/C9H9ClF2N2O2/c1-16-7-3-2-5(4-6(7)10)9(11,12)8(13)14-15/h2-4,15H,1H3,(H2,13,14)
InChIKeyHKUNSMRSPTZBTP-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide

2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide (PubChem CID 156545753) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide
PubChem CID156545753
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide
SMILESCOc1ccc(C(F)(F)/C(N)=N/O)cc1Cl
InChIInChI=1S/C9H9ClF2N2O2/c1-16-7-3-2-5(4-6(7)10)9(11,12)8(13)14-15/h2-4,15H,1H3,(H2,13,14)
InChIKeyHKUNSMRSPTZBTP-UHFFFAOYSA-N
XLogP2.19
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.19
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

5-(3-chloro-4-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063921
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CID 82126929
2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
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2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
2-(3-chloro-4-methoxyphenyl)-2-methylpropanenitrile
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N'-amino-3-chloro-4-methoxybenzenecarboximidamide
CID 77052841
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
(3R)-3-(3-chloro-4-methoxyphenyl)-3-fluorooctan-1-ol
CID 138375723
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
(2R)-2-(3-chloro-4-methoxyphenyl)-2-(dimethylamino)propanoic acid
CID 97034755
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-methyliminoprop-1-en-1-amine
CID 153072118
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide (CID 156545753) is 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide is COc1ccc(C(F)(F)/C(N)=N/O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide?
The InChIKey is HKUNSMRSPTZBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c1-16-7-3-2-5(4-6(7)10)9(11,12)8(13)14-15/h2-4,15H,1H3,(H2,13,14).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide?
2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide has a molecular weight of 250.63 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide is sourced from PubChem (CID 156545753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).