3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile

C10H17F3N2 — CID 55206840

IUPAC3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESCCC(CC#N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3N2/c1-4-9(5-6-14)15(8(2)3)7-10(11,12)13/h8-9H,4-5,7H2,1-3H3
InChIKeyGPZJMNYCRUXSPX-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.95
Rot. Bonds5

About 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile

3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile (PubChem CID 55206840) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
PubChem CID55206840
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
SMILESCCC(CC#N)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H17F3N2/c1-4-9(5-6-14)15(8(2)3)7-10(11,12)13/h8-9H,4-5,7H2,1-3H3
InChIKeyGPZJMNYCRUXSPX-UHFFFAOYSA-N
XLogP2.95
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile (CID 55206840) is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile.
What is the SMILES notation for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The canonical SMILES for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile is CCC(CC#N)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
The InChIKey is GPZJMNYCRUXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-4-9(5-6-14)15(8(2)3)7-10(11,12)13/h8-9H,4-5,7H2,1-3H3.
What are the key properties of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile?
3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile has a molecular weight of 222.25 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile is sourced from PubChem (CID 55206840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).