O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine

C10H12F3NO — CID 117311824

IUPACO-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESCc1cccc(C(F)(F)F)c1CCON
InChIInChI=1S/C10H12F3NO/c1-7-3-2-4-9(10(11,12)13)8(7)5-6-15-14/h2-4H,5-6,14H2,1H3
InChIKeyWQNVEOKFSZNBDS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.45
Rot. Bonds3

About O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine

O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117311824) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID117311824
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameO-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESCc1cccc(C(F)(F)F)c1CCON
InChIInChI=1S/C10H12F3NO/c1-7-3-2-4-9(10(11,12)13)8(7)5-6-15-14/h2-4H,5-6,14H2,1H3
InChIKeyWQNVEOKFSZNBDS-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.45
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

1,3-dimethyl-2-[3-[2-(trifluoromethyl)phenyl]propyl]benzene
CID 54377530
1-[2-butyl-3-(trifluoromethyl)phenyl]-N,N-bis[[2-butyl-3-(trifluoromethyl)phenyl]methyl]methanamine
CID 88750219
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2-[2-methyl-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 19704221
2-(aminooxymethyl)-6-(trifluoromethyl)phenol
CID 117295390
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
1-[2-methyl-6-(trifluoromethyl)phenyl]ethanamine
CID 84671370
3-(2-methylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 105145474
[1-[2-methyl-6-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117330254

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 117311824) is O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine is Cc1cccc(C(F)(F)F)c1CCON.
What is the InChIKey of O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is WQNVEOKFSZNBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-7-3-2-4-9(10(11,12)13)8(7)5-6-15-14/h2-4H,5-6,14H2,1H3.
What are the key properties of O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 219.21 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-methyl-6-(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117311824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).