N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine

C7H5ClFNO — CID 2739244

IUPACN-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H5ClFNO/c8-6-3-5(4-10-11)1-2-7(6)9/h1-4,11H
InChIKeyIAYMCXBREVAUIX-UHFFFAOYSA-N
MW173.57 g/mol
LogP2.29
Rot. Bonds1

About N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine

N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine (PubChem CID 2739244) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine
PubChem CID2739244
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC NameN-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine
SMILESON=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H5ClFNO/c8-6-3-5(4-10-11)1-2-7(6)9/h1-4,11H
InChIKeyIAYMCXBREVAUIX-UHFFFAOYSA-N
XLogP2.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.57
LogP ≤ 52.29
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

4-Chlorobenzaldehyde oxime
CID 5356407
Benzaldehyde, 2-chloro-, oxime
CID 6861540
3-Chlorobenzaldehyde oxime
CID 5372363
Benzaldehyde, 2,6-dichloro-, oxime
CID 91328
Benzaldehyde, p-fluoro-, oxime
CID 5372466
N-[(4-fluorophenyl)methylidene]hydroxylamine
CID 68017
4-Fluorobenzaldehyde oxime
CID 6436078
2,4-Dichlorobenzaldoxime
CID 6434542
Benzaldehyde, 2-fluoro-, oxime
CID 587025
3-Fluorobenzaldehyde oxime
CID 1808815
2,6-Dichlorobenzaldehyde oxime
CID 5366925
N-((2,6-dichlorophenyl)methylidene)hydroxylamine
CID 9581041

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine (CID 2739244) is N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine is ON=Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is IAYMCXBREVAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-6-3-5(4-10-11)1-2-7(6)9/h1-4,11H.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine?
N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine has a molecular weight of 173.57 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 2739244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).