(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride

C8H10ClF3N2 — CID 171243254

IUPAC(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1cccc([C@@H](N)C(F)(F)F)n1.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5-3-2-4-6(13-5)7(12)8(9,10)11;/h2-4,7H,12H2,1H3;1H/t7-;/m1./s1
InChIKeyLDSCKDUYXBDJTC-OGFXRTJISA-N
MW226.63 g/mol
LogP2.37
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride (PubChem CID 171243254) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
PubChem CID171243254
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
SMILESCc1cccc([C@@H](N)C(F)(F)F)n1.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5-3-2-4-6(13-5)7(12)8(9,10)11;/h2-4,7H,12H2,1H3;1H/t7-;/m1./s1
InChIKeyLDSCKDUYXBDJTC-OGFXRTJISA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride (CID 171243254) is (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride is Cc1cccc([C@@H](N)C(F)(F)F)n1.Cl.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
The InChIKey is LDSCKDUYXBDJTC-OGFXRTJISA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c1-5-3-2-4-6(13-5)7(12)8(9,10)11;/h2-4,7H,12H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride has a molecular weight of 226.63 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(6-methyl-2-pyridinyl)ethanamine;hydrochloride is sourced from PubChem (CID 171243254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).