N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine

C8H8FNO — CID 73014313

IUPACN-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(F)cc1C=NO
InChIInChI=1S/C8H8FNO/c1-6-2-3-8(9)4-7(6)5-10-11/h2-5,11H,1H3
InChIKeyLLFXCAZWWMXKQU-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.94
Rot. Bonds1

About N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine

N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine (PubChem CID 73014313) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
PubChem CID73014313
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC NameN-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
SMILESCc1ccc(F)cc1C=NO
InChIInChI=1S/C8H8FNO/c1-6-2-3-8(9)4-7(6)5-10-11/h2-5,11H,1H3
InChIKeyLLFXCAZWWMXKQU-UHFFFAOYSA-N
XLogP1.94
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.94
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-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine
CID 56776472
N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 53395027
(NE)-N-[(2,4-difluorophenyl)methylidene]hydroxylamine
CID 15057456
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
2-(2,2-dibromoethenyl)-4-fluoro-1-methylbenzene
CID 130531997
(R)-N-[(5-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530969
(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
CID 122163966
(NE)-N-[(3-chloro-2-fluoro-4-methylphenyl)methylidene]hydroxylamine
CID 126583087
(NE)-N-[[4-fluoro-2-[2-(4-methylphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 138967783
(E)-N-(diaminomethylidene)-3-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 163922974
(NE)-N-[[5-fluoro-2-[2-(4-methoxyphenyl)ethynyl]phenyl]methylidene]hydroxylamine
CID 138967448
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine (CID 73014313) is N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine is Cc1ccc(F)cc1C=NO.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine?
The InChIKey is LLFXCAZWWMXKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c1-6-2-3-8(9)4-7(6)5-10-11/h2-5,11H,1H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine?
N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine has a molecular weight of 153.16 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 73014313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).