3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol

C6H8F6O — CID 13442056

IUPAC3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol
SMILESCC(C)(O)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-4(2,13)5(8,9)3(7)6(10,11)12/h3,13H,1-2H3
InChIKeyAHOBFJZDSQJNCO-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.29
Rot. Bonds2

About 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol

3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol (PubChem CID 13442056) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol.

Molecular Properties

Compound Name3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol
PubChem CID13442056
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol
SMILESCC(C)(O)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H8F6O/c1-4(2,13)5(8,9)3(7)6(10,11)12/h3,13H,1-2H3
InChIKeyAHOBFJZDSQJNCO-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol?
The IUPAC name of 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol (CID 13442056) is 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol.
What is the SMILES notation for 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol?
The canonical SMILES for 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol is CC(C)(O)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol?
The InChIKey is AHOBFJZDSQJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-4(2,13)5(8,9)3(7)6(10,11)12/h3,13H,1-2H3.
What are the key properties of 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol?
3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol has a molecular weight of 210.12 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol is sourced from PubChem (CID 13442056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).