N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine

C9H10FNO — CID 23394254

IUPACN-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
SMILESC=C(NO)c1cc(C)ccc1F
InChIInChI=1S/C9H10FNO/c1-6-3-4-9(10)8(5-6)7(2)11-12/h3-5,11-12H,2H2,1H3
InChIKeyVHCYSFAGNZOUFX-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.08
Rot. Bonds2

About N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine

N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine (PubChem CID 23394254) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
PubChem CID23394254
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine
SMILESC=C(NO)c1cc(C)ccc1F
InChIInChI=1S/C9H10FNO/c1-6-3-4-9(10)8(5-6)7(2)11-12/h3-5,11-12H,2H2,1H3
InChIKeyVHCYSFAGNZOUFX-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethylphenylhydroxylamine
CID 145679
3,5-Dimethylphenylhydroxylamine
CID 50165
2-(4-Fluoro-3-methylphenyl)-3,5,6-trimethylpyrazine 1,4-dioxide
CID 2292015
(4-Fluoro-3-methylphenyl)methanamine
CID 2774599
N-[1-(4-fluorophenyl)ethyl]hydroxylamine
CID 13389032
N-[(4-fluorophenyl)methyl]hydroxylamine
CID 14157467
(S)-N-(1-(4-fluorophenyl)ethyl)hydroxylamine
CID 28296221
N-[1-(2-fluorophenyl)ethyl]hydroxylamine
CID 82685291
(R)-N-(1-(2-fluorophenyl)ethyl)hydroxylamine
CID 130054521
(S)-N-(1-(3-fluorophenyl)ethyl)hydroxylamine
CID 130054539
1-fluoro-4-[(E)-1-nitroprop-1-enyl]benzene
CID 135078988
N-(2-phenylpropan-2-yl)hydroxylamine
CID 13456320

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine (CID 23394254) is N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine is C=C(NO)c1cc(C)ccc1F.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine?
The InChIKey is VHCYSFAGNZOUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-3-4-9(10)8(5-6)7(2)11-12/h3-5,11-12H,2H2,1H3.
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine?
N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine has a molecular weight of 167.18 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)ethenyl]hydroxylamine is sourced from PubChem (CID 23394254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).