1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine

C11H12F3N — CID 580046

IUPAC1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine
SMILESC/C(=N\CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3N/c1-9(11(12,13)14)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/b15-9+
InChIKeyRDDQZOCSVHYCJM-OQLLNIDSSA-N
MW215.22 g/mol
LogP3.25
Rot. Bonds3

About 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine

1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine (PubChem CID 580046) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine
PubChem CID580046
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine
SMILESC/C(=N\CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3N/c1-9(11(12,13)14)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/b15-9+
InChIKeyRDDQZOCSVHYCJM-OQLLNIDSSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine (CID 580046) is 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine is C/C(=N\CCc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine?
The InChIKey is RDDQZOCSVHYCJM-OQLLNIDSSA-N. The full InChI is InChI=1S/C11H12F3N/c1-9(11(12,13)14)15-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/b15-9+.
What are the key properties of 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine?
1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine has a molecular weight of 215.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-phenylethyl)propan-2-imine is sourced from PubChem (CID 580046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).