5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole

C12H12F3NO2S — CID 10732304

IUPAC5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole
SMILESCC1=CC(c2ccccc2)CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO2S/c1-9-7-11(10-5-3-2-4-6-10)8-16(9)19(17,18)12(13,14)15/h2-7,11H,8H2,1H3
InChIKeyGHBWFAXPPFJXRM-UHFFFAOYSA-N
MW291.29 g/mol
LogP2.84
Rot. Bonds2

About 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole

5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole (PubChem CID 10732304) has the molecular formula C12H12F3NO2S and a molecular weight of 291.29 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole
PubChem CID10732304
Molecular FormulaC12H12F3NO2S
Molecular Weight291.29 g/mol
Exact Mass291.05
IUPAC Name5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole
SMILESCC1=CC(c2ccccc2)CN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H12F3NO2S/c1-9-7-11(10-5-3-2-4-6-10)8-16(9)19(17,18)12(13,14)15/h2-7,11H,8H2,1H3
InChIKeyGHBWFAXPPFJXRM-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 86276440
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CID 129744034
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CID 129744182
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole?
The IUPAC name of 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole (CID 10732304) is 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole.
What is the SMILES notation for 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole?
The canonical SMILES for 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole is CC1=CC(c2ccccc2)CN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole?
The InChIKey is GHBWFAXPPFJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2S/c1-9-7-11(10-5-3-2-4-6-10)8-16(9)19(17,18)12(13,14)15/h2-7,11H,8H2,1H3.
What are the key properties of 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole?
5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole has a molecular weight of 291.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-1-(trifluoromethylsulfonyl)-2,3-dihydropyrrole is sourced from PubChem (CID 10732304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).