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

C9H14F6O3S — CID 103312526

IUPAC6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol
SMILESCCS(=O)(=O)CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O3S/c1-2-19(17,18)5-3-4-6(16)7(8(10,11)12)9(13,14)15/h6-7,16H,2-5H2,1H3
InChIKeyMWDFOPLFJHKIMU-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.30
Rot. Bonds6

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

6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol (PubChem CID 103312526) has the molecular formula C9H14F6O3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol.

Molecular Properties

Compound Name6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol
PubChem CID103312526
Molecular FormulaC9H14F6O3S
Molecular Weight316.26 g/mol
Exact Mass316.06
IUPAC Name6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol
SMILESCCS(=O)(=O)CCCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6O3S/c1-2-19(17,18)5-3-4-6(16)7(8(10,11)12)9(13,14)15/h6-7,16H,2-5H2,1H3
InChIKeyMWDFOPLFJHKIMU-UHFFFAOYSA-N
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-1,1-bis(trifluoromethylsulfonyl)pentan-3-ol
CID 58195628
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
2-[2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)ethyl]pentan-1-ol
CID 88964880
4-Methyl-1,1-bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pentan-3-ol
CID 88964887
1,1-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)hexan-3-ol
CID 88964890
1,1-Bis(1,1,2,2,2-pentafluoroethylsulfonyl)hexan-3-ol
CID 88964964
4-Methyl-1,1-bis(1,1,2,2,2-pentafluoroethylsulfonyl)pentan-3-ol
CID 88964965
2-[2,2-Bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol
CID 88964968
(3S,5R)-5-(difluoromethyl)-1,1-dioxothiepan-3-ol
CID 118370624
1,1,1-Trifluoro-6-methylsulfonylhexan-3-ol
CID 63192213

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol?
The IUPAC name of 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol (CID 103312526) is 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol.
What is the SMILES notation for 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol?
The canonical SMILES for 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol is CCS(=O)(=O)CCCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol?
The InChIKey is MWDFOPLFJHKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O3S/c1-2-19(17,18)5-3-4-6(16)7(8(10,11)12)9(13,14)15/h6-7,16H,2-5H2,1H3.
What are the key properties of 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol?
6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol has a molecular weight of 316.26 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-1,1,1-trifluoro-2-(trifluoromethyl)hexan-3-ol is sourced from PubChem (CID 103312526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).