2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile

C11H8F10N2 — CID 15979557

IUPAC2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESN#CC(C#N)(CCC(F)(F)F)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F10N2/c12-8(10(16,17)18,11(19,20)21)3-1-7(5-22,6-23)2-4-9(13,14)15/h1-4H2
InChIKeyFNIGKAFEASWUDH-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.98
Rot. Bonds5

About 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile

2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile (PubChem CID 15979557) has the molecular formula C11H8F10N2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile.

Molecular Properties

Compound Name2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
PubChem CID15979557
Molecular FormulaC11H8F10N2
Molecular Weight358.18 g/mol
Exact Mass358.05
IUPAC Name2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESN#CC(C#N)(CCC(F)(F)F)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F10N2/c12-8(10(16,17)18,11(19,20)21)3-1-7(5-22,6-23)2-4-9(13,14)15/h1-4H2
InChIKeyFNIGKAFEASWUDH-UHFFFAOYSA-N
XLogP4.98
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
The IUPAC name of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile (CID 15979557) is 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile.
What is the SMILES notation for 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
The canonical SMILES for 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile is N#CC(C#N)(CCC(F)(F)F)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
The InChIKey is FNIGKAFEASWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F10N2/c12-8(10(16,17)18,11(19,20)21)3-1-7(5-22,6-23)2-4-9(13,14)15/h1-4H2.
What are the key properties of 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile has a molecular weight of 358.18 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-2-(3,3,3-trifluoropropyl)propanedinitrile is sourced from PubChem (CID 15979557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).