1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol

C4H5F5O3S — CID 91525496

IUPAC1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C4H5F5O3S/c1-13(11,12)4(8,9)2(10)3(5,6)7/h2,10H,1H3
InChIKeyHJPGUDHPESVIRI-UHFFFAOYSA-N
MW228.14 g/mol
LogP0.55
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol

1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol (PubChem CID 91525496) has the molecular formula C4H5F5O3S and a molecular weight of 228.14 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol
PubChem CID91525496
Molecular FormulaC4H5F5O3S
Molecular Weight228.14 g/mol
Exact Mass227.99
IUPAC Name1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol
SMILESCS(=O)(=O)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C4H5F5O3S/c1-13(11,12)4(8,9)2(10)3(5,6)7/h2,10H,1H3
InChIKeyHJPGUDHPESVIRI-UHFFFAOYSA-N
XLogP0.55
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-ol;sulfuric acid
CID 146471813
trifluoro(methylsulfonyl)methane
CID 11215049
1,1-dichloro-3,3-dimethyl-1-methylsulfonylbutan-2-ol
CID 102550194
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-one
CID 159576724
1-(trifluoromethylsulfonyl)ethanol
CID 126732557
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
CID 159325388
1-aminoethanol;trifluoromethanesulfonic acid
CID 87298984
methanesulfonic acid;methanetriol
CID 174918384
(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
CID 98055023
methane;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 157404640
tert-butyliminovanadium;carbanide;bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
CID 162498087

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol (CID 91525496) is 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol is CS(=O)(=O)C(F)(F)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol?
The InChIKey is HJPGUDHPESVIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O3S/c1-13(11,12)4(8,9)2(10)3(5,6)7/h2,10H,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol?
1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol has a molecular weight of 228.14 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 91525496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).