1,1,1,3,3,3-hexafluoro-2-methylpropane

C4H4F6 — CID 2778258

IUPAC1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6/c1-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKeyMKIWPODDHGBZRV-UHFFFAOYSA-N
MW166.06 g/mol
LogP2.75
Rot. Bonds

About 1,1,1,3,3,3-hexafluoro-2-methylpropane

1,1,1,3,3,3-hexafluoro-2-methylpropane (PubChem CID 2778258) has the molecular formula C4H4F6 and a molecular weight of 166.06 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methylpropane
PubChem CID2778258
Molecular FormulaC4H4F6
Molecular Weight166.06 g/mol
Exact Mass166.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methylpropane
SMILESCC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6/c1-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKeyMKIWPODDHGBZRV-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.06
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylpropane (CID 2778258) is 1,1,1,3,3,3-hexafluoro-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methylpropane is CC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methylpropane?
The InChIKey is MKIWPODDHGBZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6/c1-2(3(5,6)7)4(8,9)10/h2H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methylpropane?
1,1,1,3,3,3-hexafluoro-2-methylpropane has a molecular weight of 166.06 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methylpropane is sourced from PubChem (CID 2778258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).