O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine

C10H14FNO — CID 117279515

IUPACO-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
SMILESCc1ccc(CF)cc1CCON
InChIInChI=1S/C10H14FNO/c1-8-2-3-9(7-11)6-10(8)4-5-13-12/h2-3,6H,4-5,7,12H2,1H3
InChIKeyJZBBDDAVTBMMIR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.90
Rot. Bonds4

About O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine

O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine (PubChem CID 117279515) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
PubChem CID117279515
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameO-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
SMILESCc1ccc(CF)cc1CCON
InChIInChI=1S/C10H14FNO/c1-8-2-3-9(7-11)6-10(8)4-5-13-12/h2-3,6H,4-5,7,12H2,1H3
InChIKeyJZBBDDAVTBMMIR-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-(fluoromethyl)-2-methylphenyl]methanol
CID 84649942
O-[2-[5-(fluoromethyl)-2,3-dimethoxyphenyl]ethyl]hydroxylamine
CID 117330369
4-[5-(fluoromethyl)-2-methylphenyl]butanoic acid
CID 117300398
tert-butyl 3-[5-(fluoromethyl)-2-methylphenyl]propanoate
CID 58798437
O-[2-(3,4-diethylphenyl)ethyl]hydroxylamine
CID 117284110
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
CID 143248151
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
O-[2-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethyl]hydroxylamine
CID 117326466
O-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 117279513
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100

Frequently Asked Questions

What is the IUPAC name of O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine (CID 117279515) is O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine is Cc1ccc(CF)cc1CCON.
What is the InChIKey of O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine?
The InChIKey is JZBBDDAVTBMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8-2-3-9(7-11)6-10(8)4-5-13-12/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine?
O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine has a molecular weight of 183.23 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).