N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine

C12H16F3NO — CID 3040478

IUPACN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine
SMILESCCN(O)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-16(17)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyZLNOYWVGLMWKHR-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.35
Rot. Bonds4

About N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine

N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine (PubChem CID 3040478) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine
PubChem CID3040478
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine
SMILESCCN(O)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-3-16(17)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyZLNOYWVGLMWKHR-UHFFFAOYSA-N
XLogP3.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine?
The IUPAC name of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine (CID 3040478) is N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine.
What is the SMILES notation for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine?
The canonical SMILES for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine is CCN(O)C(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine?
The InChIKey is ZLNOYWVGLMWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16(17)9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,17H,3,7H2,1-2H3.
What are the key properties of N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine?
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine has a molecular weight of 247.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]hydroxylamine is sourced from PubChem (CID 3040478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).