3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile

C10H11F3N2O — CID 103367449

IUPAC3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile
SMILESC[C@H](NCC(C#N)C(F)(F)F)c1ccco1
InChIInChI=1S/C10H11F3N2O/c1-7(9-3-2-4-16-9)15-6-8(5-14)10(11,12)13/h2-4,7-8,15H,6H2,1H3/t7-,8?/m0/s1
InChIKeyRTJWMLMJDWOLJI-JAMMHHFISA-N
MW232.20 g/mol
LogP2.63
Rot. Bonds4

About 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile (PubChem CID 103367449) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile
PubChem CID103367449
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile
SMILESC[C@H](NCC(C#N)C(F)(F)F)c1ccco1
InChIInChI=1S/C10H11F3N2O/c1-7(9-3-2-4-16-9)15-6-8(5-14)10(11,12)13/h2-4,7-8,15H,6H2,1H3/t7-,8?/m0/s1
InChIKeyRTJWMLMJDWOLJI-JAMMHHFISA-N
XLogP2.63
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]benzonitrile
CID 103367077
3,3,3-trifluoro-2-[(furan-2-ylmethylamino)methyl]propanenitrile
CID 103366989
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
CID 103367453
3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
CID 103367252
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
N'-[1-(furan-2-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201793
2,2-diethoxy-N-[(1S)-1-(furan-2-yl)ethyl]ethanamine
CID 81400852

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile (CID 103367449) is 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile is C[C@H](NCC(C#N)C(F)(F)F)c1ccco1.
What is the InChIKey of 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile?
The InChIKey is RTJWMLMJDWOLJI-JAMMHHFISA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-7(9-3-2-4-16-9)15-6-8(5-14)10(11,12)13/h2-4,7-8,15H,6H2,1H3/t7-,8?/m0/s1.
What are the key properties of 3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile has a molecular weight of 232.20 g/mol, XLogP of 2.63, 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-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]propanenitrile is sourced from PubChem (CID 103367449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).