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

C9H13F3N2 — CID 103367700

IUPAC2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2/c1-2-14(8-3-4-8)6-7(5-13)9(10,11)12/h7-8H,2-4,6H2,1H3
InChIKeyHANNLKVCAAYALT-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.17
Rot. Bonds4

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

2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103367700) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103367700
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC(C#N)C(F)(F)F)C1CC1
InChIInChI=1S/C9H13F3N2/c1-2-14(8-3-4-8)6-7(5-13)9(10,11)12/h7-8H,2-4,6H2,1H3
InChIKeyHANNLKVCAAYALT-UHFFFAOYSA-N
XLogP2.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclopropyl(ethyl)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-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile (CID 103367700) is 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is CCN(CC(C#N)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is HANNLKVCAAYALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-2-14(8-3-4-8)6-7(5-13)9(10,11)12/h7-8H,2-4,6H2,1H3.
What are the key properties of 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 206.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(ethyl)amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103367700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).