3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile

C10H11F3N2O — CID 103367769

IUPAC3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile
SMILESCN(Cc1ccoc1)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15(5-8-2-3-16-7-8)6-9(4-14)10(11,12)13/h2-3,7,9H,5-6H2,1H3
InChIKeyGMWIGVKFZQEIPU-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.41
Rot. Bonds4

About 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile (PubChem CID 103367769) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile
PubChem CID103367769
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile
SMILESCN(Cc1ccoc1)CC(C#N)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-15(5-8-2-3-16-7-8)6-9(4-14)10(11,12)13/h2-3,7,9H,5-6H2,1H3
InChIKeyGMWIGVKFZQEIPU-UHFFFAOYSA-N
XLogP2.41
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile (CID 103367769) is 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile is CN(Cc1ccoc1)CC(C#N)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile?
The InChIKey is GMWIGVKFZQEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-15(5-8-2-3-16-7-8)6-9(4-14)10(11,12)13/h2-3,7,9H,5-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile has a molecular weight of 232.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[furan-3-ylmethyl(methyl)amino]methyl]propanenitrile is sourced from PubChem (CID 103367769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).