O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine

C7H5F4NO — CID 162421856

IUPACO-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESNOc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5F4NO/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3H,12H2
InChIKeyUFGBGRLJHOXCNR-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.10
Rot. Bonds1

About O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine

O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 162421856) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID162421856
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC NameO-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine
SMILESNOc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C7H5F4NO/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3H,12H2
InChIKeyUFGBGRLJHOXCNR-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.10
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-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
1-(3-bromopropoxy)-3-fluoro-5-(trifluoromethyl)benzene
CID 162393577
O-(3-chloro-5-fluorophenyl)hydroxylamine
CID 162421873
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
(2R)-2-amino-N-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-3-methylbutanamide
CID 118661024
1-fluoro-3-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-nitrobenzene
CID 118470642
actinium;1-[3,5-bis(trifluoromethyl)phenyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 22950157
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162
1-tert-butyl-3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59192723

Frequently Asked Questions

What is the IUPAC name of O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine (CID 162421856) is O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine is NOc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is UFGBGRLJHOXCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-5-1-4(7(9,10)11)2-6(3-5)13-12/h1-3H,12H2.
What are the key properties of O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine?
O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 195.12 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-fluoro-5-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 162421856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).