2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile

C8H11F3N2 — CID 60999125

IUPAC2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile
SMILESCC(C#N)(NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N2/c1-7(4-12,6-2-3-6)13-5-8(9,10)11/h6,13H,2-3,5H2,1H3
InChIKeyFIZZTLZBSRDVLR-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.83
Rot. Bonds3

About 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile

2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile (PubChem CID 60999125) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile
PubChem CID60999125
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile
SMILESCC(C#N)(NCC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N2/c1-7(4-12,6-2-3-6)13-5-8(9,10)11/h6,13H,2-3,5H2,1H3
InChIKeyFIZZTLZBSRDVLR-UHFFFAOYSA-N
XLogP1.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile (CID 60999125) is 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile is CC(C#N)(NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile?
The InChIKey is FIZZTLZBSRDVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-7(4-12,6-2-3-6)13-5-8(9,10)11/h6,13H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile?
2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile has a molecular weight of 192.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propanenitrile is sourced from PubChem (CID 60999125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).