2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H14F3N — CID 43180486

IUPAC2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3N/c1-9(7-15-8-11(12,13)14)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3
InChIKeyLDERHSPPAJXUMX-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.94
Rot. Bonds4

About 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 43180486) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID43180486
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)c1ccccc1
InChIInChI=1S/C11H14F3N/c1-9(7-15-8-11(12,13)14)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3
InChIKeyLDERHSPPAJXUMX-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 43180486) is 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is LDERHSPPAJXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-9(7-15-8-11(12,13)14)10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 43180486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).