3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile

C10H11F3N2S — CID 103367252

IUPAC3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
SMILESCC(NCC(C#N)C(F)(F)F)c1ccsc1
InChIInChI=1S/C10H11F3N2S/c1-7(8-2-3-16-6-8)15-5-9(4-14)10(11,12)13/h2-3,6-7,9,15H,5H2,1H3
InChIKeyPWZIZIWDDMAZQF-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.10
Rot. Bonds4

About 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile

3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile (PubChem CID 103367252) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
PubChem CID103367252
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
SMILESCC(NCC(C#N)C(F)(F)F)c1ccsc1
InChIInChI=1S/C10H11F3N2S/c1-7(8-2-3-16-6-8)15-5-9(4-14)10(11,12)13/h2-3,6-7,9,15H,5H2,1H3
InChIKeyPWZIZIWDDMAZQF-UHFFFAOYSA-N
XLogP3.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.10
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-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
CID 103367453
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 115895627
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
1-thiophen-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62842187
1-thiophen-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 53274741
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
3-(1,1,1-trifluoropropan-2-yl)thiophene
CID 83381744
2-piperidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089125
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3,3,3-trifluoro-2-[[1-(4-fluorophenyl)propan-2-ylamino]methyl]propanenitrile
CID 103367260

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile (CID 103367252) is 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile is CC(NCC(C#N)C(F)(F)F)c1ccsc1.
What is the InChIKey of 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile?
The InChIKey is PWZIZIWDDMAZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c1-7(8-2-3-16-6-8)15-5-9(4-14)10(11,12)13/h2-3,6-7,9,15H,5H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile?
3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile has a molecular weight of 248.27 g/mol, XLogP of 3.10, 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-[(1-thiophen-3-ylethylamino)methyl]propanenitrile is sourced from PubChem (CID 103367252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).