1,1,1-trifluoro-5-methylsulfonylpentan-2-ol

C6H11F3O3S — CID 63191935

IUPAC1,1,1-trifluoro-5-methylsulfonylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)C(F)(F)F
InChIInChI=1S/C6H11F3O3S/c1-13(11,12)4-2-3-5(10)6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyMZOGSJWOTRELPV-UHFFFAOYSA-N
MW220.21 g/mol
LogP0.73
Rot. Bonds4

About 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol

1,1,1-trifluoro-5-methylsulfonylpentan-2-ol (PubChem CID 63191935) has the molecular formula C6H11F3O3S and a molecular weight of 220.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methylsulfonylpentan-2-ol
PubChem CID63191935
Molecular FormulaC6H11F3O3S
Molecular Weight220.21 g/mol
Exact Mass220.04
IUPAC Name1,1,1-trifluoro-5-methylsulfonylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)C(F)(F)F
InChIInChI=1S/C6H11F3O3S/c1-13(11,12)4-2-3-5(10)6(7,8)9/h5,10H,2-4H2,1H3
InChIKeyMZOGSJWOTRELPV-UHFFFAOYSA-N
XLogP0.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol (CID 63191935) is 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol is CS(=O)(=O)CCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol?
The InChIKey is MZOGSJWOTRELPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O3S/c1-13(11,12)4-2-3-5(10)6(7,8)9/h5,10H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol?
1,1,1-trifluoro-5-methylsulfonylpentan-2-ol has a molecular weight of 220.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methylsulfonylpentan-2-ol is sourced from PubChem (CID 63191935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).