5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol

C7H12F4O3S — CID 88941942

IUPAC5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol
SMILESCS(=O)(=O)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C7H12F4O3S/c1-15(13,14)7(10,11)6(8,9)4-2-3-5-12/h12H,2-5H2,1H3
InChIKeyBLXOVYILRSMXOS-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.42
Rot. Bonds6

About 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol

5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol (PubChem CID 88941942) has the molecular formula C7H12F4O3S and a molecular weight of 252.23 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol
PubChem CID88941942
Molecular FormulaC7H12F4O3S
Molecular Weight252.23 g/mol
Exact Mass252.04
IUPAC Name5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol
SMILESCS(=O)(=O)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C7H12F4O3S/c1-15(13,14)7(10,11)6(8,9)4-2-3-5-12/h12H,2-5H2,1H3
InChIKeyBLXOVYILRSMXOS-UHFFFAOYSA-N
XLogP1.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfonate
CID 58037006
1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate
CID 58036986
butane-1,4-diol;methyl methanesulfonate
CID 175275162
1,1,2,2,10,10,10-heptafluorodecane-1-sulfonic acid;N-methylmethanamine
CID 171922810
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinic acid
CID 58037034
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
CID 121403408
trifluoro(methylsulfonyl)methane
CID 11215049
1,1,2,2-tetrafluoro-8-hydroxyoctane-1-sulfinate
CID 58037033
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol?
The IUPAC name of 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol (CID 88941942) is 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol.
What is the SMILES notation for 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol?
The canonical SMILES for 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol is CS(=O)(=O)C(F)(F)C(F)(F)CCCCO.
What is the InChIKey of 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol?
The InChIKey is BLXOVYILRSMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O3S/c1-15(13,14)7(10,11)6(8,9)4-2-3-5-12/h12H,2-5H2,1H3.
What are the key properties of 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol?
5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol has a molecular weight of 252.23 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-6-methylsulfonylhexan-1-ol is sourced from PubChem (CID 88941942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).