O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine

C14H11F4NO — CID 155557741

IUPACO-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine
SMILESNOC(c1ccccc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H11F4NO/c15-12-10(7-4-8-11(12)14(16,17)18)13(20-19)9-5-2-1-3-6-9/h1-8,13H,19H2
InChIKeyXZGYKUIKTQEXCG-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.82
Rot. Bonds3

About O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine

O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine (PubChem CID 155557741) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine.

Molecular Properties

Compound NameO-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine
PubChem CID155557741
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC NameO-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine
SMILESNOC(c1ccccc1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H11F4NO/c15-12-10(7-4-8-11(12)14(16,17)18)13(20-19)9-5-2-1-3-6-9/h1-8,13H,19H2
InChIKeyXZGYKUIKTQEXCG-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.82
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

(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
1-[bis(phenylsulfanyl)methyl]-2-fluoro-3-(trifluoromethyl)benzene
CID 11047501
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171227402
[(3-fluorophenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250363
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
(R)-[2-fluoro-3-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171249000
(3S)-3-amino-3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 93491216
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171269091

Frequently Asked Questions

What is the IUPAC name of O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine?
The IUPAC name of O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine (CID 155557741) is O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine.
What is the SMILES notation for O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine?
The canonical SMILES for O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine is NOC(c1ccccc1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine?
The InChIKey is XZGYKUIKTQEXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-12-10(7-4-8-11(12)14(16,17)18)13(20-19)9-5-2-1-3-6-9/h1-8,13H,19H2.
What are the key properties of O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine?
O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine has a molecular weight of 285.24 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]hydroxylamine is sourced from PubChem (CID 155557741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).