N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine

C9H7F6NO — CID 23018391

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESONCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15/h1-3,16-17H,4H2
InChIKeyKZDHQGOBOVPLPX-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.20
Rot. Bonds2

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 23018391) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID23018391
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESONCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15/h1-3,16-17H,4H2
InChIKeyKZDHQGOBOVPLPX-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 23018391) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine is ONCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is KZDHQGOBOVPLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15/h1-3,16-17H,4H2.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 259.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 23018391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).