3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile

C10H15F3N2S — CID 103367414

IUPAC3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile
SMILESCC1(CNCC(C#N)C(F)(F)F)CCCS1
InChIInChI=1S/C10H15F3N2S/c1-9(3-2-4-16-9)7-15-6-8(5-14)10(11,12)13/h8,15H,2-4,6-7H2,1H3
InChIKeyUUWPPGIQUVNKMK-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.56
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile (PubChem CID 103367414) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile
PubChem CID103367414
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile
SMILESCC1(CNCC(C#N)C(F)(F)F)CCCS1
InChIInChI=1S/C10H15F3N2S/c1-9(3-2-4-16-9)7-15-6-8(5-14)10(11,12)13/h8,15H,2-4,6-7H2,1H3
InChIKeyUUWPPGIQUVNKMK-UHFFFAOYSA-N
XLogP2.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile (CID 103367414) is 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile is CC1(CNCC(C#N)C(F)(F)F)CCCS1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile?
The InChIKey is UUWPPGIQUVNKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-9(3-2-4-16-9)7-15-6-8(5-14)10(11,12)13/h8,15H,2-4,6-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile has a molecular weight of 252.30 g/mol, XLogP of 2.56, 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-[[(2-methylthiolan-2-yl)methylamino]methyl]propanenitrile is sourced from PubChem (CID 103367414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).