(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine

C8H9F3N2 — CID 131017310

IUPAC(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ncccc1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-5(12)7-6(8(9,10)11)3-2-4-13-7/h2-5H,12H2,1H3/t5-/m0/s1
InChIKeyHFANFFHVMQXJOE-YFKPBYRVSA-N
MW190.17 g/mol
LogP2.12
Rot. Bonds1

About (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine

(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 131017310) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID131017310
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ncccc1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-5(12)7-6(8(9,10)11)3-2-4-13-7/h2-5H,12H2,1H3/t5-/m0/s1
InChIKeyHFANFFHVMQXJOE-YFKPBYRVSA-N
XLogP2.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
(2S)-2-amino-2-[3-(trifluoromethyl)-2-pyridinyl]ethanol
CID 131168070
cyclopropyl-[3-(trifluoromethyl)-2-pyridinyl]methanamine;hydrochloride
CID 131637723
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
2-[(1S)-1-aminoethyl]pyridin-3-ol
CID 96848333
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
(1S)-3-phenyl-1-[3-(trifluoromethyl)-2-pyridinyl]prop-2-yn-1-amine
CID 71165415
N-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-amine
CID 63559822
tert-butyl (2R,3R)-2-amino-3-hydroxy-3-[3-(trifluoromethyl)-2-pyridinyl]propanoate
CID 125456376
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
2-(2-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 78018930

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 131017310) is (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine is C[C@H](N)c1ncccc1C(F)(F)F.
What is the InChIKey of (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is HFANFFHVMQXJOE-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5(12)7-6(8(9,10)11)3-2-4-13-7/h2-5H,12H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine?
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 190.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 131017310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).