2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile

C10H17F3N2 — CID 60997930

IUPAC2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCCCC(C#N)(CCC)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-5-9(7-14,6-4-2)15-8-10(11,12)13/h15H,3-6,8H2,1-2H3
InChIKeyHVVHEWGNFLHCCY-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.00
Rot. Bonds6

About 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile

2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile (PubChem CID 60997930) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile.

Molecular Properties

Compound Name2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
PubChem CID60997930
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCCCC(C#N)(CCC)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-3-5-9(7-14,6-4-2)15-8-10(11,12)13/h15H,3-6,8H2,1-2H3
InChIKeyHVVHEWGNFLHCCY-UHFFFAOYSA-N
XLogP3.00
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
The IUPAC name of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile (CID 60997930) is 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile.
What is the SMILES notation for 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
The canonical SMILES for 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile is CCCC(C#N)(CCC)NCC(F)(F)F.
What is the InChIKey of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
The InChIKey is HVVHEWGNFLHCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-5-9(7-14,6-4-2)15-8-10(11,12)13/h15H,3-6,8H2,1-2H3.
What are the key properties of 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile?
2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile has a molecular weight of 222.25 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2,2,2-trifluoroethylamino)pentanenitrile is sourced from PubChem (CID 60997930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).