(NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine

C8H7ClFNO2 — CID 126578197

IUPAC(NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1c(Cl)ccc(/C=N\O)c1F
InChIInChI=1S/C8H7ClFNO2/c1-13-8-6(9)3-2-5(4-11-12)7(8)10/h2-4,12H,1H3/b11-4-
InChIKeyGSAJBKWYYDZKEK-WCIBSUBMSA-N
MW203.60 g/mol
LogP2.30
Rot. Bonds2

About (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine

(NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 126578197) has the molecular formula C8H7ClFNO2 and a molecular weight of 203.60 g/mol. Its IUPAC name is (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine
PubChem CID126578197
Molecular FormulaC8H7ClFNO2
Molecular Weight203.60 g/mol
Exact Mass203.01
IUPAC Name(NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1c(Cl)ccc(/C=N\O)c1F
InChIInChI=1S/C8H7ClFNO2/c1-13-8-6(9)3-2-5(4-11-12)7(8)10/h2-4,12H,1H3/b11-4-
InChIKeyGSAJBKWYYDZKEK-WCIBSUBMSA-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

4-(Allyloxy)-3-chlorobenzaldehyde oxime
CID 6898245
Benzene, 1-chloro-3-fluoro-2-methoxy-4-methyl-
CID 2773659
CID 2782775
CID 2782775
4-Fluoro-3-methoxybenzaldehyde oxime
CID 9582380
(NE)-N-[(2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine
CID 55265183
(NZ)-N-[(2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine
CID 59479324
3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-ol
CID 59652416
2-Fluoro-3-methoxybenzaldehyde oxime
CID 76220836
N-[(2-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
CID 86010050
(NZ)-N-[(3-chloro-4-ethoxy-5-fluorophenyl)methylidene]hydroxylamine
CID 87388998
N-[(3-chloro-4-ethoxy-5-fluorophenyl)methylidene]hydroxylamine
CID 87389000
(NZ)-N-[[5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]methylidene]hydroxylamine
CID 88727397

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine (CID 126578197) is (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine is COc1c(Cl)ccc(/C=N\O)c1F.
What is the InChIKey of (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is GSAJBKWYYDZKEK-WCIBSUBMSA-N. The full InChI is InChI=1S/C8H7ClFNO2/c1-13-8-6(9)3-2-5(4-11-12)7(8)10/h2-4,12H,1H3/b11-4-.
What are the key properties of (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine?
(NZ)-N-[(4-chloro-2-fluoro-3-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 (NZ)-N-[(4-chloro-2-fluoro-3-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 126578197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).