2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile

C10H10F6N2 — CID 16042432

IUPAC2-(4,4,4-trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESCC(CC(F)(F)F)C(CCC(F)(F)F)(C#N)C#N
InChIInChI=1S/C10H10F6N2/c1-7(4-10(14,15)16)8(5-17,6-18)2-3-9(11,12)13/h7H,2-4H2,1H3
InChIKeyVERQELDPAFMXCS-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.80
Rot. Bonds4

About 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile

2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile (PubChem CID 16042432) has the molecular formula C10H10F6N2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile.

Molecular Properties

Compound Name2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile
PubChem CID16042432
Molecular FormulaC10H10F6N2
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name2-(4,4,4-trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESCC(CC(F)(F)F)C(CCC(F)(F)F)(C#N)C#N
InChIInChI=1S/C10H10F6N2/c1-7(4-10(14,15)16)8(5-17,6-18)2-3-9(11,12)13/h7H,2-4H2,1H3
InChIKeyVERQELDPAFMXCS-UHFFFAOYSA-N
XLogP3.80
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The IUPAC name of 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile (CID 16042432) is 2-(4,4,4-trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile.
What is the SMILES notation for 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The canonical SMILES for 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile is CC(CC(F)(F)F)C(CCC(F)(F)F)(C#N)C#N.
What is the InChIKey of 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
The InChIKey is VERQELDPAFMXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2/c1-7(4-10(14,15)16)8(5-17,6-18)2-3-9(11,12)13/h7H,2-4H2,1H3.
What are the key properties of 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile?
2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile has a molecular weight of 272.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-Trifluorobutan-2-yl)-2-(3,3,3-trifluoropropyl)propanedinitrile is sourced from PubChem (CID 16042432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).