3,3,4,5,5,5-hexafluoropentan-2-ol

C5H6F6O — CID 2775019

IUPAC3,3,4,5,5,5-hexafluoropentan-2-ol
SMILESCC(O)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3
InChIKeyBBNMWXDGNGRANP-UHFFFAOYSA-N
MW196.09 g/mol
LogP1.90
Rot. Bonds2

About 3,3,4,5,5,5-hexafluoropentan-2-ol

3,3,4,5,5,5-hexafluoropentan-2-ol (PubChem CID 2775019) has the molecular formula C5H6F6O and a molecular weight of 196.09 g/mol. Its IUPAC name is 3,3,4,5,5,5-hexafluoropentan-2-ol.

Molecular Properties

Compound Name3,3,4,5,5,5-hexafluoropentan-2-ol
PubChem CID2775019
Molecular FormulaC5H6F6O
Molecular Weight196.09 g/mol
Exact Mass196.03
IUPAC Name3,3,4,5,5,5-hexafluoropentan-2-ol
SMILESCC(O)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3
InChIKeyBBNMWXDGNGRANP-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 51.90
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-hexafluoropentan-2-ol?
The IUPAC name of 3,3,4,5,5,5-hexafluoropentan-2-ol (CID 2775019) is 3,3,4,5,5,5-hexafluoropentan-2-ol.
What is the SMILES notation for 3,3,4,5,5,5-hexafluoropentan-2-ol?
The canonical SMILES for 3,3,4,5,5,5-hexafluoropentan-2-ol is CC(O)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 3,3,4,5,5,5-hexafluoropentan-2-ol?
The InChIKey is BBNMWXDGNGRANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3.
What are the key properties of 3,3,4,5,5,5-hexafluoropentan-2-ol?
3,3,4,5,5,5-hexafluoropentan-2-ol has a molecular weight of 196.09 g/mol, XLogP of 1.90, 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-hexafluoropentan-2-ol is sourced from PubChem (CID 2775019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).