6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol

C8H15F3O3S — CID 65095387

IUPAC6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol
SMILESCCS(=O)(=O)CCCC(O)CC(F)(F)F
InChIInChI=1S/C8H15F3O3S/c1-2-15(13,14)5-3-4-7(12)6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyQQJNBTWSCLCLKX-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.51
Rot. Bonds6

About 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol

6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol (PubChem CID 65095387) has the molecular formula C8H15F3O3S and a molecular weight of 248.27 g/mol. Its IUPAC name is 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol.

Molecular Properties

Compound Name6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol
PubChem CID65095387
Molecular FormulaC8H15F3O3S
Molecular Weight248.27 g/mol
Exact Mass248.07
IUPAC Name6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol
SMILESCCS(=O)(=O)CCCC(O)CC(F)(F)F
InChIInChI=1S/C8H15F3O3S/c1-2-15(13,14)5-3-4-7(12)6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyQQJNBTWSCLCLKX-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol?
The IUPAC name of 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol (CID 65095387) is 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol.
What is the SMILES notation for 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol?
The canonical SMILES for 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol is CCS(=O)(=O)CCCC(O)CC(F)(F)F.
What is the InChIKey of 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol?
The InChIKey is QQJNBTWSCLCLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O3S/c1-2-15(13,14)5-3-4-7(12)6-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol?
6-ethylsulfonyl-1,1,1-trifluorohexan-3-ol has a molecular weight of 248.27 g/mol, XLogP of 1.51, 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-trifluorohexan-3-ol is sourced from PubChem (CID 65095387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).