N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine

C10H13FN2O2 — CID 876024

IUPACN-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(NO)C(=NO)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-10(2,13-15)9(12-14)7-3-5-8(11)6-4-7/h3-6,13-15H,1-2H3
InChIKeyHDSJIPTWFABFGQ-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.76
Rot. Bonds3

About N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine

N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine (PubChem CID 876024) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
PubChem CID876024
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC NameN-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(NO)C(=NO)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-10(2,13-15)9(12-14)7-3-5-8(11)6-4-7/h3-6,13-15H,1-2H3
InChIKeyHDSJIPTWFABFGQ-UHFFFAOYSA-N
XLogP1.76
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
(NZ)-N-[2-amino-2-methyl-1-(4-methylphenyl)propylidene]hydroxylamine
CID 12586213
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
ethyl 3-[di(propan-2-yl)amino]-4-(4-fluorophenyl)-4-hydroxyimino-3-methyl-2-oxobutanoate
CID 173105544
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
N'-tert-butyl-4-fluorobenzohydrazide
CID 15617766
(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 19995449
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol
CID 15133048
chloromethane;4-fluorobenzamide
CID 158476805

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine (CID 876024) is N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine is CC(C)(NO)C(=NO)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The InChIKey is HDSJIPTWFABFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-10(2,13-15)9(12-14)7-3-5-8(11)6-4-7/h3-6,13-15H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine has a molecular weight of 212.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine is sourced from PubChem (CID 876024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).