(2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol

C14H16F4O4S — CID 15327235

IUPAC(2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H]2[C@H](C)O[C@@H](O)[C@@]2(F)C(F)(F)F)cc1
InChIInChI=1S/C14H16F4O4S/c1-8-3-5-10(6-4-8)23(20,21)7-11-9(2)22-12(19)13(11,15)14(16,17)18/h3-6,9,11-12,19H,7H2,1-2H3/t9-,11-,12+,13+/m0/s1
InChIKeyCQSJSFTWGFJWDO-FTYKPCCVSA-N
MW356.34 g/mol
LogP2.39
Rot. Bonds3

About (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol

(2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol (PubChem CID 15327235) has the molecular formula C14H16F4O4S and a molecular weight of 356.34 g/mol. Its IUPAC name is (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
PubChem CID15327235
Molecular FormulaC14H16F4O4S
Molecular Weight356.34 g/mol
Exact Mass356.07
IUPAC Name(2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H]2[C@H](C)O[C@@H](O)[C@@]2(F)C(F)(F)F)cc1
InChIInChI=1S/C14H16F4O4S/c1-8-3-5-10(6-4-8)23(20,21)7-11-9(2)22-12(19)13(11,15)14(16,17)18/h3-6,9,11-12,19H,7H2,1-2H3/t9-,11-,12+,13+/m0/s1
InChIKeyCQSJSFTWGFJWDO-FTYKPCCVSA-N
XLogP2.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol with MolForge

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Related Compounds

(3R,4S,5S)-5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]oxolane-2,3,4-triol
CID 46875262
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
1-[4-Fluoro-2-(trifluoromethyl)phenyl]sulfonyl-5-methoxypentan-2-ol
CID 170693991
5-[4-Fluoro-2-(trifluoromethyl)phenyl]sulfonyl-5-methoxypentan-2-ol
CID 174185657
[1-[4-Fluoro-2-(trifluoromethyl)phenyl]sulfonyl-5-methoxypentan-2-yl] hydrogen carbonate
CID 175531817
1-methyl-4-[(E)-4-methyl-1,1-di(propan-2-yloxy)hept-5-en-3-yl]sulfonylbenzene
CID 44521254
(2S,3S,4R,5S)-4-fluoro-6,6-dimethyl-3-[(4-methylphenyl)sulfonylmethyl]-4-(trifluoromethyl)heptane-2,5-diol
CID 10960640
(2R,3R,4S,5S)-2-tert-butyl-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
CID 11069667
(3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
CID 12183693
(2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
CID 15327234
5-[[4-(Trifluoromethyl)phenyl]sulfanylmethyl]oxolane-2,3,4-triol
CID 44305585
(2R,3R,4S,5S)-2-butyl-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
CID 102094007

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol (CID 15327235) is (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol is Cc1ccc(S(=O)(=O)C[C@H]2[C@H](C)O[C@@H](O)[C@@]2(F)C(F)(F)F)cc1.
What is the InChIKey of (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
The InChIKey is CQSJSFTWGFJWDO-FTYKPCCVSA-N. The full InChI is InChI=1S/C14H16F4O4S/c1-8-3-5-10(6-4-8)23(20,21)7-11-9(2)22-12(19)13(11,15)14(16,17)18/h3-6,9,11-12,19H,7H2,1-2H3/t9-,11-,12+,13+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
(2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol has a molecular weight of 356.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 15327235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).