3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile

C10H17F3N2 — CID 60691253

IUPAC3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-9(2)8-15(6-3-5-14)7-4-10(11,12)13/h9H,3-4,6-8H2,1-2H3
InChIKeyLEYPFPXLWQOJCU-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.81
Rot. Bonds6

About 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile

3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile (PubChem CID 60691253) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile
PubChem CID60691253
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-9(2)8-15(6-3-5-14)7-4-10(11,12)13/h9H,3-4,6-8H2,1-2H3
InChIKeyLEYPFPXLWQOJCU-UHFFFAOYSA-N
XLogP2.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile (CID 60691253) is 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile is CC(C)CN(CCC#N)CCC(F)(F)F.
What is the InChIKey of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile?
The InChIKey is LEYPFPXLWQOJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-9(2)8-15(6-3-5-14)7-4-10(11,12)13/h9H,3-4,6-8H2,1-2H3.
What are the key properties of 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile?
3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile has a molecular weight of 222.25 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(3,3,3-trifluoropropyl)amino]propanenitrile is sourced from PubChem (CID 60691253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).