(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine

C8H7ClFNO2 — CID 169127326

IUPAC(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)c(F)cc1/C=N/O
InChIInChI=1S/C8H7ClFNO2/c1-13-8-3-6(9)7(10)2-5(8)4-11-12/h2-4,12H,1H3/b11-4+
InChIKeyOANGZVKUIIGESW-NYYWCZLTSA-N
MW203.60 g/mol
LogP2.30
Rot. Bonds2

About (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 169127326) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
PubChem CID169127326
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(Cl)c(F)cc1/C=N/O
InChIInChI=1S/C8H7ClFNO2/c1-13-8-3-6(9)7(10)2-5(8)4-11-12/h2-4,12H,1H3/b11-4+
InChIKeyOANGZVKUIIGESW-NYYWCZLTSA-N
XLogP2.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 52.30
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

N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
CID 71832955
1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
CID 176698285
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
(NZ)-N-[(2,5-dichloro-3-methoxyphenyl)methylidene]hydroxylamine
CID 87389485
N-[(2,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 2755791
(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 169239016
N-[(3-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 74061800
(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
CID 22226003
(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
CID 163378744
(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 26596685
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 134891354
3-[(Z)-hydroxyiminomethyl]-4-methoxybenzonitrile
CID 87293148

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine (CID 169127326) is (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine is COc1cc(Cl)c(F)cc1/C=N/O.
What is the InChIKey of (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is OANGZVKUIIGESW-NYYWCZLTSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-8-3-6(9)7(10)2-5(8)4-11-12/h2-4,12H,1H3/b11-4+.
What are the key properties of (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 203.60 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 169127326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).