1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile

C10H14F3N3 — CID 82854042

IUPAC1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCN2CCCC21
InChIInChI=1S/C10H14F3N3/c11-10(12,13)7-15-9(6-14)3-5-16-4-1-2-8(9)16/h8,15H,1-5,7H2
InChIKeyZJZKYFMGHJFLFW-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.27
Rot. Bonds2

About 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile

1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile (PubChem CID 82854042) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
PubChem CID82854042
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCN2CCCC21
InChIInChI=1S/C10H14F3N3/c11-10(12,13)7-15-9(6-14)3-5-16-4-1-2-8(9)16/h8,15H,1-5,7H2
InChIKeyZJZKYFMGHJFLFW-UHFFFAOYSA-N
XLogP1.27
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile 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 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile (CID 82854042) is 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile is N#CC1(NCC(F)(F)F)CCN2CCCC21.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
The InChIKey is ZJZKYFMGHJFLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)7-15-9(6-14)3-5-16-4-1-2-8(9)16/h8,15H,1-5,7H2.
What are the key properties of 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile?
1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile has a molecular weight of 233.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carbonitrile is sourced from PubChem (CID 82854042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).