O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine

C9H9F4NO — CID 117319005

IUPACO-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H9F4NO/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-15-14/h1-2,5H,3-4,14H2
InChIKeyQPOZXRAPWDZMGO-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.28
Rot. Bonds3

About O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine

O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine (PubChem CID 117319005) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
PubChem CID117319005
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC NameO-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H9F4NO/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-15-14/h1-2,5H,3-4,14H2
InChIKeyQPOZXRAPWDZMGO-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.28
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

O-[2-(4-chloro-2-fluorophenyl)ethyl]hydroxylamine
CID 117281685
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986
O-[2-[4-chloro-2-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117111465
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
CID 172506919
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
CID 117315125
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 175235216
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
6-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2,3-dihydro-1H-pyridazin-4-one
CID 129055775
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846

Frequently Asked Questions

What is the IUPAC name of O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine (CID 117319005) is O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine is NOCCc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
The InChIKey is QPOZXRAPWDZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8-5-7(9(11,12)13)2-1-6(8)3-4-15-14/h1-2,5H,3-4,14H2.
What are the key properties of O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine?
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine has a molecular weight of 223.17 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117319005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).