azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine

C7H13F3N2O — CID 142493523

IUPACazane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine
SMILESN.ONc1ccc(C(F)(F)F)cc1.[H][H].[H][H]
InChIInChI=1S/C7H6F3NO.H3N.2H2/c8-7(9,10)5-1-3-6(11-12)4-2-5;;;/h1-4,11-12H;1H3;2*1H
InChIKeyDLQKJOFUCZYBFY-UHFFFAOYSA-N
MW198.19 g/mol
LogP3.16
Rot. Bonds1

About azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine

azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine (PubChem CID 142493523) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine.

Molecular Properties

Compound Nameazane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine
PubChem CID142493523
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Nameazane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine
SMILESN.ONc1ccc(C(F)(F)F)cc1.[H][H].[H][H]
InChIInChI=1S/C7H6F3NO.H3N.2H2/c8-7(9,10)5-1-3-6(11-12)4-2-5;;;/h1-4,11-12H;1H3;2*1H
InChIKeyDLQKJOFUCZYBFY-UHFFFAOYSA-N
XLogP3.16
TPSA67.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

p-Toluidine
CID 7813
3-(Trifluoromethyl)aniline
CID 7375
4-(Trifluoromethyl)aniline
CID 9964
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694
4-Propylaniline
CID 75908
4,4'-Diaminostilbene
CID 5284646
4-Aminostyrene
CID 73700
N-hydroxy-4-aminobiphenyl
CID 81261
3-Fluoro-4-methylaniline
CID 9957
4-Fluoro-2-(trifluoromethyl)aniline
CID 67853

Frequently Asked Questions

What is the IUPAC name of azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine?
The IUPAC name of azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine (CID 142493523) is azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine.
What is the SMILES notation for azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine?
The canonical SMILES for azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine is N.ONc1ccc(C(F)(F)F)cc1.[H][H].[H][H].
What is the InChIKey of azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine?
The InChIKey is DLQKJOFUCZYBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO.H3N.2H2/c8-7(9,10)5-1-3-6(11-12)4-2-5;;;/h1-4,11-12H;1H3;2*1H.
What are the key properties of azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine?
azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine has a molecular weight of 198.19 g/mol, XLogP of 3.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine is sourced from PubChem (CID 142493523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).