2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile

C10H12F3N3 — CID 103367822

IUPAC2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8(6-15)7-16(5-1-4-14)9-2-3-9/h8-9H,1-3,5,7H2
InChIKeyDBEBUZANJMOGKW-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.07
Rot. Bonds5

About 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367822) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367822
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8(6-15)7-16(5-1-4-14)9-2-3-9/h8-9H,1-3,5,7H2
InChIKeyDBEBUZANJMOGKW-UHFFFAOYSA-N
XLogP2.07
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile 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 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367822) is 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile is N#CCCN(CC(C#N)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is DBEBUZANJMOGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8(6-15)7-16(5-1-4-14)9-2-3-9/h8-9H,1-3,5,7H2.
What are the key properties of 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 231.22 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(cyclopropyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).