(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine

C7H5ClFNO — CID 22226003

IUPAC(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1F
InChIInChI=1S/C7H5ClFNO/c8-6-1-2-7(9)5(3-6)4-10-11/h1-4,11H/b10-4+
InChIKeyYGOLWJMMEQRTQY-ONNFQVAWSA-N
MW173.57 g/mol
LogP2.29
Rot. Bonds1

About (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine

(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine (PubChem CID 22226003) has the molecular formula C7H5ClFNO and a molecular weight of 173.57 g/mol. Its IUPAC name is (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
PubChem CID22226003
Molecular FormulaC7H5ClFNO
Molecular Weight173.57 g/mol
Exact Mass173.00
IUPAC Name(NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1F
InChIInChI=1S/C7H5ClFNO/c8-6-1-2-7(9)5(3-6)4-10-11/h1-4,11H/b10-4+
InChIKeyYGOLWJMMEQRTQY-ONNFQVAWSA-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

(NE)-N-[(2-bromo-5-chlorophenyl)methylidene]hydroxylamine
CID 59052755
(NZ)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 98115057
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
N-[(2-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826534
N-[(4-chloro-2-methoxyphenyl)methylidene]hydroxylamine
CID 71832955
N-[(2-chloro-3-fluorophenyl)methylidene]hydroxylamine
CID 142646224
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 15057456
(NE)-N-[(5-bromo-2-chloro-4-fluorophenyl)methylidene]hydroxylamine
CID 163378744

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine (CID 22226003) is (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine is O/N=C/c1cc(Cl)ccc1F.
What is the InChIKey of (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine?
The InChIKey is YGOLWJMMEQRTQY-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5ClFNO/c8-6-1-2-7(9)5(3-6)4-10-11/h1-4,11H/b10-4+.
What are the key properties of (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine?
(NE)-N-[(5-chloro-2-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 (NE)-N-[(5-chloro-2-fluorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 22226003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).