(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine

C8H7ClFNO — CID 126583087

IUPAC(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)c(F)c1Cl
InChIInChI=1S/C8H7ClFNO/c1-5-2-3-6(4-11-12)8(10)7(5)9/h2-4,12H,1H3/b11-4+
InChIKeyQASNBVIBFMHPER-NYYWCZLTSA-N
MW187.60 g/mol
LogP2.60
Rot. Bonds1

About (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine

(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine (PubChem CID 126583087) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine
PubChem CID126583087
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)c(F)c1Cl
InChIInChI=1S/C8H7ClFNO/c1-5-2-3-6(4-11-12)8(10)7(5)9/h2-4,12H,1H3/b11-4+
InChIKeyQASNBVIBFMHPER-NYYWCZLTSA-N
XLogP2.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.60
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-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
(NE)-N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 73014313
(3-chloro-2-fluoro-4-methylphenyl)boronic acid
CID 134128504
N-[(2-chloro-3-fluorophenyl)methylidene]hydroxylamine
CID 142646224
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
(NZ)-N-[(2-chloro-8-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857756
(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
CID 176569325
1-(3-chloro-2-fluoro-4-methylphenyl)-2,5-dimethylpyrrole
CID 166540311
(NZ)-N-[(2-chloro-7-methylquinolin-3-yl)methylidene]hydroxylamine
CID 51857757
(E)-3-(2-chloro-3-fluoro-4-methylphenyl)prop-2-enoic acid
CID 119008544
(NE)-N-[(2-chloro-5,7-dimethylquinolin-3-yl)methylidene]hydroxylamine
CID 89283865

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine (CID 126583087) is (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine is Cc1ccc(/C=N/O)c(F)c1Cl.
What is the InChIKey of (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine?
The InChIKey is QASNBVIBFMHPER-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-5-2-3-6(4-11-12)8(10)7(5)9/h2-4,12H,1H3/b11-4+.
What are the key properties of (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine?
(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine has a molecular weight of 187.60 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 126583087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).