(1S)-2,2,2-trifluoro-1-phenylethanamine

C8H8F3N — CID 11389695

IUPAC(1S)-2,2,2-trifluoro-1-phenylethanamine
SMILESN[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2/t7-/m0/s1
InChIKeyDZCAUMADOBDJJH-ZETCQYMHSA-N
MW175.15 g/mol
LogP2.25
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-phenylethanamine

(1S)-2,2,2-trifluoro-1-phenylethanamine (PubChem CID 11389695) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-phenylethanamine
PubChem CID11389695
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name(1S)-2,2,2-trifluoro-1-phenylethanamine
SMILESN[C@@H](c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2/t7-/m0/s1
InChIKeyDZCAUMADOBDJJH-ZETCQYMHSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-phenylethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-phenylethanamine (CID 11389695) is (1S)-2,2,2-trifluoro-1-phenylethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-phenylethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-phenylethanamine is N[C@@H](c1ccccc1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-phenylethanamine?
The InChIKey is DZCAUMADOBDJJH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2/t7-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-phenylethanamine?
(1S)-2,2,2-trifluoro-1-phenylethanamine has a molecular weight of 175.15 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-phenylethanamine is sourced from PubChem (CID 11389695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).