3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile

C11H12F3N3 — CID 103367453

IUPAC3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
SMILESC[C@@H](NCC(C#N)C(F)(F)F)c1cccnc1
InChIInChI=1S/C11H12F3N3/c1-8(9-3-2-4-16-6-9)17-7-10(5-15)11(12,13)14/h2-4,6,8,10,17H,7H2,1H3/t8-,10?/m1/s1
InChIKeyLGSQDQLADQPMKB-HNHGDDPOSA-N
MW243.23 g/mol
LogP2.43
Rot. Bonds4

About 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile (PubChem CID 103367453) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
PubChem CID103367453
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
SMILESC[C@@H](NCC(C#N)C(F)(F)F)c1cccnc1
InChIInChI=1S/C11H12F3N3/c1-8(9-3-2-4-16-6-9)17-7-10(5-15)11(12,13)14/h2-4,6,8,10,17H,7H2,1H3/t8-,10?/m1/s1
InChIKeyLGSQDQLADQPMKB-HNHGDDPOSA-N
XLogP2.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
2,2,2-trifluoro-N-(1-pyridin-3-ylethyl)ethanamine
CID 24694524
4-[1-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]benzonitrile
CID 103367077
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
CID 103367252
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891295
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
2,2-dimethyl-6-[[(1R)-1-pyridin-3-ylethyl]amino]hexanenitrile
CID 106709505

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile (CID 103367453) is 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile is C[C@@H](NCC(C#N)C(F)(F)F)c1cccnc1.
What is the InChIKey of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile?
The InChIKey is LGSQDQLADQPMKB-HNHGDDPOSA-N. The full InChI is InChI=1S/C11H12F3N3/c1-8(9-3-2-4-16-6-9)17-7-10(5-15)11(12,13)14/h2-4,6,8,10,17H,7H2,1H3/t8-,10?/m1/s1.
What are the key properties of 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile has a molecular weight of 243.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile is sourced from PubChem (CID 103367453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).