2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide

C8H8ClFN2O — CID 156545587

IUPAC2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide
SMILESN/C(=N\O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClFN2O/c9-6-3-1-5(2-4-6)7(10)8(11)12-13/h1-4,7,13H,(H2,11,12)
InChIKeyJVXCPJSOZAINTB-UHFFFAOYSA-N
MW202.62 g/mol
LogP2.10
Rot. Bonds2

About 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide

2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide (PubChem CID 156545587) has the molecular formula C8H8ClFN2O and a molecular weight of 202.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide
PubChem CID156545587
Molecular FormulaC8H8ClFN2O
Molecular Weight202.62 g/mol
Exact Mass202.03
IUPAC Name2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide
SMILESN/C(=N\O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClFN2O/c9-6-3-1-5(2-4-6)7(10)8(11)12-13/h1-4,7,13H,(H2,11,12)
InChIKeyJVXCPJSOZAINTB-UHFFFAOYSA-N
XLogP2.10
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.62
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-2-fluoroacetic acid
CID 12602113
2-[[1-(4-chlorophenyl)ethylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369814
(4-chlorophenyl)-fluoromethanol
CID 174952192
(3S)-3-(4-chlorophenyl)-N',3-dihydroxypropanimidamide
CID 159122040
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
N-[2,4-bis(4-chlorophenyl)-1,5-difluoropentan-3-ylidene]hydroxylamine
CID 157228424
(1S)-1-(4-chlorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 121438908
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
methyl 3-(4-chlorophenyl)-3-fluoro-2-oxopropanoate
CID 12886210
2-(3,4-dichlorophenyl)-N',2-dihydroxyethanimidamide;hydrochloride
CID 5493104
(NE)-N-[1-[chloro-(4-chlorophenyl)methyl]sulfonyl-2,2,2-trifluoroethylidene]hydroxylamine
CID 87526209
2-(4-chlorophenyl)-2-nitrosoethanethioamide
CID 123527426

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide (CID 156545587) is 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide is N/C(=N\O)C(F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide?
The InChIKey is JVXCPJSOZAINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2O/c9-6-3-1-5(2-4-6)7(10)8(11)12-13/h1-4,7,13H,(H2,11,12).
What are the key properties of 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide?
2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide has a molecular weight of 202.62 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-fluoro-N'-hydroxyethanimidamide is sourced from PubChem (CID 156545587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).