2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane

C9H14F8 — CID 161364811

IUPAC2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane
SMILESCC(F)(F)C(C)(F)C(F)(F)F.CCC(C)(F)F
InChIInChI=1S/C5H6F6.C4H8F2/c1-3(6,4(2,7)8)5(9,10)11;1-3-4(2,5)6/h1-2H3;3H2,1-2H3
InChIKeyVPRDTOAYXIBGNA-UHFFFAOYSA-N
MW274.19 g/mol
LogP4.98
Rot. Bonds2

About 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane

2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane (PubChem CID 161364811) has the molecular formula C9H14F8 and a molecular weight of 274.19 g/mol. Its IUPAC name is 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane.

Molecular Properties

Compound Name2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane
PubChem CID161364811
Molecular FormulaC9H14F8
Molecular Weight274.19 g/mol
Exact Mass274.10
IUPAC Name2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane
SMILESCC(F)(F)C(C)(F)C(F)(F)F.CCC(C)(F)F
InChIInChI=1S/C5H6F6.C4H8F2/c1-3(6,4(2,7)8)5(9,10)11;1-3-4(2,5)6/h1-2H3;3H2,1-2H3
InChIKeyVPRDTOAYXIBGNA-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane 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-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane?
The IUPAC name of 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane (CID 161364811) is 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane.
What is the SMILES notation for 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane?
The canonical SMILES for 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane is CC(F)(F)C(C)(F)C(F)(F)F.CCC(C)(F)F.
What is the InChIKey of 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane?
The InChIKey is VPRDTOAYXIBGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6.C4H8F2/c1-3(6,4(2,7)8)5(9,10)11;1-3-4(2,5)6/h1-2H3;3H2,1-2H3.
What are the key properties of 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane?
2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane has a molecular weight of 274.19 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutane;1,1,1,2,3,3-hexafluoro-2-methylbutane is sourced from PubChem (CID 161364811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).