N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine

C11H10F3NO — CID 102131945

IUPACN-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine
SMILESONCC(C#Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(8-15-16)7-6-9-4-2-1-3-5-9/h1-5,10,15-16H,8H2
InChIKeyFECJWNYTTZKAHO-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.20
Rot. Bonds2

About N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine

N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine (PubChem CID 102131945) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine
PubChem CID102131945
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC NameN-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine
SMILESONCC(C#Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H10F3NO/c12-11(13,14)10(8-15-16)7-6-9-4-2-1-3-5-9/h1-5,10,15-16H,8H2
InChIKeyFECJWNYTTZKAHO-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine?
The IUPAC name of N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine (CID 102131945) is N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine.
What is the SMILES notation for N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine?
The canonical SMILES for N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine is ONCC(C#Cc1ccccc1)C(F)(F)F.
What is the InChIKey of N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine?
The InChIKey is FECJWNYTTZKAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)10(8-15-16)7-6-9-4-2-1-3-5-9/h1-5,10,15-16H,8H2.
What are the key properties of N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine?
N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine has a molecular weight of 229.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-2-(trifluoromethyl)but-3-ynyl]hydroxylamine is sourced from PubChem (CID 102131945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).