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

C15H18F4O4S — CID 15327234

IUPAC(2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H]2[C@H](C)O[C@@](C)(O)[C@@]2(F)C(F)(F)F)cc1
InChIInChI=1S/C15H18F4O4S/c1-9-4-6-11(7-5-9)24(21,22)8-12-10(2)23-13(3,20)14(12,16)15(17,18)19/h4-7,10,12,20H,8H2,1-3H3/t10-,12-,13+,14+/m0/s1
InChIKeyUMCDOIGQLRDZNU-SCUASFONSA-N
MW370.36 g/mol
LogP2.78
Rot. Bonds3

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

(2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol (PubChem CID 15327234) has the molecular formula C15H18F4O4S and a molecular weight of 370.36 g/mol. Its IUPAC name is (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
PubChem CID15327234
Molecular FormulaC15H18F4O4S
Molecular Weight370.36 g/mol
Exact Mass370.09
IUPAC Name(2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol
SMILESCc1ccc(S(=O)(=O)C[C@H]2[C@H](C)O[C@@](C)(O)[C@@]2(F)C(F)(F)F)cc1
InChIInChI=1S/C15H18F4O4S/c1-9-4-6-11(7-5-9)24(21,22)8-12-10(2)23-13(3,20)14(12,16)15(17,18)19/h4-7,10,12,20H,8H2,1-3H3/t10-,12-,13+,14+/m0/s1
InChIKeyUMCDOIGQLRDZNU-SCUASFONSA-N
XLogP2.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
3-Fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-one
CID 10991834
(3R,4S,5S)-3-fluoro-5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-one
CID 11068199
8-[4-(Trifluoromethyl)phenyl]sulfonyl-1,4-dioxaspiro[4.5]decane
CID 69194000
5-Ethyl-3-fluoro-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-one
CID 139700296
4-(2,5-Difluorophenyl)-2-ethoxy-4-(4-methylphenyl)sulfonylbutan-2-ol
CID 142260279
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
4-Methoxy-3,3-dimethyl-1-(4-methylphenyl)-2-prop-2-enylthiolan-1-ium;trifluoromethanesulfonate
CID 10906041
(2S,3R,4S)-3-fluoro-4-methyl-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 10934101
(2S,3S,4S)-3-fluoro-4-methyl-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 10934102

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
The IUPAC name of (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol (CID 15327234) is (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol.
What is the SMILES notation for (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
The canonical SMILES for (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol is Cc1ccc(S(=O)(=O)C[C@H]2[C@H](C)O[C@@](C)(O)[C@@]2(F)C(F)(F)F)cc1.
What is the InChIKey of (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
The InChIKey is UMCDOIGQLRDZNU-SCUASFONSA-N. The full InChI is InChI=1S/C15H18F4O4S/c1-9-4-6-11(7-5-9)24(21,22)8-12-10(2)23-13(3,20)14(12,16)15(17,18)19/h4-7,10,12,20H,8H2,1-3H3/t10-,12-,13+,14+/m0/s1.
What are the key properties of (2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol?
(2R,3R,4S,5S)-3-fluoro-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol has a molecular weight of 370.36 g/mol, XLogP of 2.78, 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-2,5-dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3-(trifluoromethyl)oxolan-2-ol is sourced from PubChem (CID 15327234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).