(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride

C8H10ClF3N2 — CID 118990673

IUPAC(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
SMILESC[C@H](N)c1cc(C(F)(F)F)ccn1.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5(12)7-4-6(2-3-13-7)8(9,10)11;/h2-5H,12H2,1H3;1H/t5-;/m0./s1
InChIKeyKSBPCNXMVVFOSR-JEDNCBNOSA-N
MW226.63 g/mol
LogP2.54
Rot. Bonds1

About (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride

(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride (PubChem CID 118990673) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
PubChem CID118990673
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride
SMILESC[C@H](N)c1cc(C(F)(F)F)ccn1.Cl
InChIInChI=1S/C8H9F3N2.ClH/c1-5(12)7-4-6(2-3-13-7)8(9,10)11;/h2-5H,12H2,1H3;1H/t5-;/m0./s1
InChIKeyKSBPCNXMVVFOSR-JEDNCBNOSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromobutan-2-yl)-4-(trifluoromethyl)pyridine
CID 66330684
2-(2-chloropentan-3-yl)-4-(trifluoromethyl)pyridine
CID 66330085
2-(1-cyclobutylethyl)-4-(trifluoromethyl)pyridine
CID 170081104
ethane;N-methyl-2-propan-2-ylpyridin-4-amine;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 153329889
[4-(trifluoromethyl)-2-pyridinyl]hydrazine;hydrochloride
CID 142330793
2-[4-(trifluoromethyl)-2-pyridinyl]propan-2-amine
CID 115009349
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
(1R)-1-[2-(trifluoromethyl)-4-pyridinyl]ethanamine
CID 97053211
[4-(trifluoromethyl)-2-pyridinyl]phosphane
CID 143994599
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
The IUPAC name of (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride (CID 118990673) is (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
The canonical SMILES for (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride is C[C@H](N)c1cc(C(F)(F)F)ccn1.Cl.
What is the InChIKey of (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
The InChIKey is KSBPCNXMVVFOSR-JEDNCBNOSA-N. The full InChI is InChI=1S/C8H9F3N2.ClH/c1-5(12)7-4-6(2-3-13-7)8(9,10)11;/h2-5H,12H2,1H3;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride?
(1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride has a molecular weight of 226.63 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(trifluoromethyl)-2-pyridinyl]ethanamine;hydrochloride is sourced from PubChem (CID 118990673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).