2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine

C9H11F3N2 — CID 24694524

IUPAC2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCC(NCC(F)(F)F)c1cccnc1
InChIInChI=1S/C9H11F3N2/c1-7(14-6-9(10,11)12)8-3-2-4-13-5-8/h2-5,7,14H,6H2,1H3
InChIKeyRXEKNGZAFIBLCR-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.29
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine

2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine (PubChem CID 24694524) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
PubChem CID24694524
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
SMILESCC(NCC(F)(F)F)c1cccnc1
InChIInChI=1S/C9H11F3N2/c1-7(14-6-9(10,11)12)8-3-2-4-13-5-8/h2-5,7,14H,6H2,1H3
InChIKeyRXEKNGZAFIBLCR-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891295
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
CID 103367453
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine (CID 24694524) is 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine is CC(NCC(F)(F)F)c1cccnc1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine?
The InChIKey is RXEKNGZAFIBLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-7(14-6-9(10,11)12)8-3-2-4-13-5-8/h2-5,7,14H,6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine?
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine has a molecular weight of 204.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 24694524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).