1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol

C8H12F6O3S — CID 103312450

IUPAC1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol
SMILESCS(=O)(=O)CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O3S/c1-18(16,17)4-2-3-5(15)6(7(9,10)11)8(12,13)14/h5-6,15H,2-4H2,1H3
InChIKeyFQWNLXRAGWIBJI-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.91
Rot. Bonds5

About 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol

1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol (PubChem CID 103312450) has the molecular formula C8H12F6O3S and a molecular weight of 302.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol
PubChem CID103312450
Molecular FormulaC8H12F6O3S
Molecular Weight302.24 g/mol
Exact Mass302.04
IUPAC Name1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol
SMILESCS(=O)(=O)CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O3S/c1-18(16,17)4-2-3-5(15)6(7(9,10)11)8(12,13)14/h5-6,15H,2-4H2,1H3
InChIKeyFQWNLXRAGWIBJI-UHFFFAOYSA-N
XLogP1.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,1-bis(trifluoromethylsulfonyl)pentan-3-ol
CID 58195628
1,1-Bis(trifluoromethylsulfonyl)hexan-3-ol
CID 58195708
2-[2,2-Bis(trifluoromethylsulfonyl)ethyl]pentan-1-ol
CID 58195769
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
4-Methyl-1,1-bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pentan-3-ol
CID 88964887
4-Methyl-1,1-bis(1,1,2,2,2-pentafluoroethylsulfonyl)pentan-3-ol
CID 88964965
1,1,1-Trifluoro-5-methylsulfonylpentan-2-ol
CID 63191935
1,1,1-Trifluoro-6-methylsulfonylhexan-3-ol
CID 63192213
6-Ethylsulfonyl-1,1,1-trifluorohexan-3-ol
CID 65095387
1,1,1-Trifluoro-7-methylsulfonylheptan-4-ol
CID 79952566
6,6,6-Trifluoro-1-methylsulfonylhexan-3-ol
CID 79953152

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol?
The IUPAC name of 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol (CID 103312450) is 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol is CS(=O)(=O)CCCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol?
The InChIKey is FQWNLXRAGWIBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O3S/c1-18(16,17)4-2-3-5(15)6(7(9,10)11)8(12,13)14/h5-6,15H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol?
1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol has a molecular weight of 302.24 g/mol, XLogP of 1.91, 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-methylsulfonyl-2-(trifluoromethyl)hexan-3-ol is sourced from PubChem (CID 103312450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).