(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol

C12H23F3O3S — CID 161050588

IUPAC(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
SMILESC[C@@H](O)CCCCCCS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3O3S/c1-11(16)7-4-2-3-5-9-19(17,18)10-6-8-12(13,14)15/h11,16H,2-10H2,1H3/t11-/m1/s1
InChIKeyUCBXZFPFJNAHFD-LLVKDONJSA-N
MW304.37 g/mol
LogP3.08
Rot. Bonds10

About (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol

(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol (PubChem CID 161050588) has the molecular formula C12H23F3O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol.

Molecular Properties

Compound Name(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
PubChem CID161050588
Molecular FormulaC12H23F3O3S
Molecular Weight304.37 g/mol
Exact Mass304.13
IUPAC Name(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol
SMILESC[C@@H](O)CCCCCCS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C12H23F3O3S/c1-11(16)7-4-2-3-5-9-19(17,18)10-6-8-12(13,14)15/h11,16H,2-10H2,1H3/t11-/m1/s1
InChIKeyUCBXZFPFJNAHFD-LLVKDONJSA-N
XLogP3.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-octylsulfonylpropan-2-ol
CID 85799324
3-Dodecylsulfonyl-1,1,1-trifluoropropan-2-ol
CID 155541117
1,1,1-Trifluoro-3-hexylsulfonylpropan-2-ol
CID 155568115
[(2-Hydroxycyclooctyl)-dimethyl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 134927563
(2-Hydroxycyclooctyl)-dimethylsulfanium;trifluoromethanesulfonate
CID 176443404
1-(4,4,5,5,5-Pentafluoropentan-2-ylsulfonyl)pentan-2-ol
CID 87892032
9-(4,4,5,5,5-Pentafluoropentylsulfonyl)nonan-1-ol
CID 88159627
7-(4,4,5,5,5-Pentafluoropentylsulfonyl)heptan-1-ol
CID 88159655
11-(4,4,5,5,5-Pentafluoropentylsulfinyl)undecan-1-ol
CID 88159740
10-(4,4,5,5,5-Pentafluoropentylsulfonyl)decan-1-ol
CID 88159767
9-(4,4,5,5,5-Pentafluoropentylsulfinyl)nonan-1-ol
CID 88159846
7-(4,4,5,5,5-Pentafluoropentylsulfinyl)heptan-1-ol
CID 88160008

Frequently Asked Questions

What is the IUPAC name of (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol?
The IUPAC name of (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol (CID 161050588) is (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol.
What is the SMILES notation for (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol?
The canonical SMILES for (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol is C[C@@H](O)CCCCCCS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol?
The InChIKey is UCBXZFPFJNAHFD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23F3O3S/c1-11(16)7-4-2-3-5-9-19(17,18)10-6-8-12(13,14)15/h11,16H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol?
(2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol has a molecular weight of 304.37 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(4,4,4-trifluorobutylsulfonyl)octan-2-ol is sourced from PubChem (CID 161050588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).