1,1,1-trifluoro-6-methylsulfonylhexan-3-ol

C7H13F3O3S — CID 63192213

IUPAC1,1,1-trifluoro-6-methylsulfonylhexan-3-ol
SMILESCS(=O)(=O)CCCC(O)CC(F)(F)F
InChIInChI=1S/C7H13F3O3S/c1-14(12,13)4-2-3-6(11)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyWHDZXTIMLVRDGD-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.12
Rot. Bonds5

About 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol

1,1,1-trifluoro-6-methylsulfonylhexan-3-ol (PubChem CID 63192213) has the molecular formula C7H13F3O3S and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methylsulfonylhexan-3-ol
PubChem CID63192213
Molecular FormulaC7H13F3O3S
Molecular Weight234.24 g/mol
Exact Mass234.05
IUPAC Name1,1,1-trifluoro-6-methylsulfonylhexan-3-ol
SMILESCS(=O)(=O)CCCC(O)CC(F)(F)F
InChIInChI=1S/C7H13F3O3S/c1-14(12,13)4-2-3-6(11)5-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyWHDZXTIMLVRDGD-UHFFFAOYSA-N
XLogP1.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Difluoro-3-methanesulfonylpropan-1-ol
CID 165634993
1,1,1-Trifluoro-3-hexylsulfonylpropan-2-ol
CID 155568115
1-(Trifluoromethanesulfonyl)-2-propanol
CID 13107099
3,3-Difluoro-4-methanesulfonylbutan-1-ol
CID 146075390
1,1-Bis(trifluoromethylsulfonyl)pentan-3-ol
CID 58195625
1,1-Bis(trifluoromethylsulfonyl)hexan-3-ol
CID 58195708
4-Methylsulfonyl-4-(trifluoromethylsulfonyl)butan-2-ol
CID 58195728
3-(3,3,4,4,5,5,6,6,6-Nonafluorohexan-2-ylsulfonyl)propan-1-ol
CID 87558447
1-(4,4,5,5,5-Pentafluoropentan-2-ylsulfonyl)pentan-2-ol
CID 87892032
1-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-4-ol
CID 88160742
5,5,6,6-Tetrafluoro-6-methylsulfonylhexan-1-ol
CID 88941942
1,1-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hexan-3-ol
CID 88964890

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol?
The IUPAC name of 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol (CID 63192213) is 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol is CS(=O)(=O)CCCC(O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol?
The InChIKey is WHDZXTIMLVRDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3S/c1-14(12,13)4-2-3-6(11)5-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol?
1,1,1-trifluoro-6-methylsulfonylhexan-3-ol has a molecular weight of 234.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methylsulfonylhexan-3-ol is sourced from PubChem (CID 63192213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).