(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine

C13H11F3N2 — CID 66510300

IUPAC(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
SMILESN[C@@H](c1ccc(-c2ccccn2)cc1)C(F)(F)F
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12(17)10-6-4-9(5-7-10)11-3-1-2-8-18-11/h1-8,12H,17H2/t12-/m0/s1
InChIKeyLFUGACBJKATHGN-LBPRGKRZSA-N
MW252.24 g/mol
LogP3.31
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine (PubChem CID 66510300) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
PubChem CID66510300
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
SMILESN[C@@H](c1ccc(-c2ccccn2)cc1)C(F)(F)F
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12(17)10-6-4-9(5-7-10)11-3-1-2-8-18-11/h1-8,12H,17H2/t12-/m0/s1
InChIKeyLFUGACBJKATHGN-LBPRGKRZSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
hydrazine;2-phenylpyridine
CID 158673997
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
CID 170286441
2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
2-(4-pyridin-2-ylphenyl)propanenitrile
CID 139809245
CID 88530161
CID 88530161
2-(4-methylphenyl)pyridine;silver
CID 121395993
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid
CID 10468039
(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 68670040
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine (CID 66510300) is (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine is N[C@@H](c1ccc(-c2ccccn2)cc1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine?
The InChIKey is LFUGACBJKATHGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)12(17)10-6-4-9(5-7-10)11-3-1-2-8-18-11/h1-8,12H,17H2/t12-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine is sourced from PubChem (CID 66510300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).