2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile

C8H8F4N2 — CID 87395428

IUPAC2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESN#CC(C#N)(CCF)CCC(F)(F)F
InChIInChI=1S/C8H8F4N2/c9-4-3-7(5-13,6-14)1-2-8(10,11)12/h1-4H2
InChIKeyHPHOGFYYQUUXJW-UHFFFAOYSA-N
MW208.16 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile

2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile (PubChem CID 87395428) has the molecular formula C8H8F4N2 and a molecular weight of 208.16 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile.

Molecular Properties

Compound Name2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
PubChem CID87395428
Molecular FormulaC8H8F4N2
Molecular Weight208.16 g/mol
Exact Mass208.06
IUPAC Name2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESN#CC(C#N)(CCF)CCC(F)(F)F
InChIInChI=1S/C8H8F4N2/c9-4-3-7(5-13,6-14)1-2-8(10,11)12/h1-4H2
InChIKeyHPHOGFYYQUUXJW-UHFFFAOYSA-N
XLogP2.72
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile 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-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The IUPAC name of 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile (CID 87395428) is 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile.
What is the SMILES notation for 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The canonical SMILES for 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile is N#CC(C#N)(CCF)CCC(F)(F)F.
What is the InChIKey of 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The InChIKey is HPHOGFYYQUUXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2/c9-4-3-7(5-13,6-14)1-2-8(10,11)12/h1-4H2.
What are the key properties of 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile has a molecular weight of 208.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile is sourced from PubChem (CID 87395428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).