3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol

C6H6F6O — CID 87946709

IUPAC3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol
SMILESC=C(CO)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6F6O/c1-3(2-13)5(9,10)6(11,12)4(7)8/h4,13H,1-2H2
InChIKeyIUKSVNLFZKUJSI-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.07
Rot. Bonds4

About 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol

3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol (PubChem CID 87946709) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol
PubChem CID87946709
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol
SMILESC=C(CO)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H6F6O/c1-3(2-13)5(9,10)6(11,12)4(7)8/h4,13H,1-2H2
InChIKeyIUKSVNLFZKUJSI-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol (CID 87946709) is 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol is C=C(CO)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol?
The InChIKey is IUKSVNLFZKUJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-3(2-13)5(9,10)6(11,12)4(7)8/h4,13H,1-2H2.
What are the key properties of 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol?
3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol has a molecular weight of 208.10 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-2-methylidenepentan-1-ol is sourced from PubChem (CID 87946709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).