(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine

C7H5F2NO — CID 15057456

IUPAC(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(F)cc1F
InChIInChI=1S/C7H5F2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
InChIKeySVCQIVUYSQKNAZ-ONNFQVAWSA-N
MW157.12 g/mol
LogP1.77
Rot. Bonds1

About (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine

(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine (PubChem CID 15057456) has the molecular formula C7H5F2NO and a molecular weight of 157.12 g/mol. Its IUPAC name is (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
PubChem CID15057456
Molecular FormulaC7H5F2NO
Molecular Weight157.12 g/mol
Exact Mass157.03
IUPAC Name(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc(F)cc1F
InChIInChI=1S/C7H5F2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+
InChIKeySVCQIVUYSQKNAZ-ONNFQVAWSA-N
XLogP1.77
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 51.77
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

N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
CID 89241470
CID 89241470
(NE)-N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 73014313
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826534
(NE)-N-[(2,4,6-trifluorophenyl)methylidene]hydroxylamine
CID 171366265
(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
CID 122163966
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001
N-[(E)-(2,4-difluorophenyl)methylideneamino]benzamide
CID 6909478
N-[(2,3,4,5-tetrafluorophenyl)methylidene]hydroxylamine
CID 175024126
(NE)-N-[[4-fluoro-2-[2-(4-methylphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 138967783
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine (CID 15057456) is (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine is O/N=C/c1ccc(F)cc1F.
What is the InChIKey of (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
The InChIKey is SVCQIVUYSQKNAZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5F2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H/b10-4+.
What are the key properties of (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine?
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine has a molecular weight of 157.12 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 15057456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).