(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine

C10H10ClFN2O2 — CID 135418300

IUPAC(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
SMILESCO/N=C(C(/C)=N/O)\c1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN2O2/c1-6(13-15)10(14-16-2)8-4-3-7(12)5-9(8)11/h3-5,15H,1-2H3/b13-6+,14-10-
InChIKeyZUXXPLFUCNNZFO-DWOKAIGUSA-N
MW244.65 g/mol
LogP2.68
Rot. Bonds3

About (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine

(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine (PubChem CID 135418300) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
PubChem CID135418300
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
SMILESCO/N=C(C(/C)=N/O)\c1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN2O2/c1-6(13-15)10(14-16-2)8-4-3-7(12)5-9(8)11/h3-5,15H,1-2H3/b13-6+,14-10-
InChIKeyZUXXPLFUCNNZFO-DWOKAIGUSA-N
XLogP2.68
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
1-[2-chloro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxyethanimine
CID 72558098
(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide
CID 87179293
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
2-chloro-4-fluoro-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43110853
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
2-chloro-4-fluorobenzenecarbothioamide
CID 46779076
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine (CID 135418300) is (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine is CO/N=C(C(/C)=N/O)\c1ccc(F)cc1Cl.
What is the InChIKey of (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
The InChIKey is ZUXXPLFUCNNZFO-DWOKAIGUSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-6(13-15)10(14-16-2)8-4-3-7(12)5-9(8)11/h3-5,15H,1-2H3/b13-6+,14-10-.
What are the key properties of (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine?
(NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine has a molecular weight of 244.65 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1E)-1-(2-chloro-4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135418300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).