1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

C6H10F3NO3S — CID 86769483

IUPAC1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c1-14(12,13)10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3
InChIKeyOJRZDYGWEDGTCX-UHFFFAOYSA-N
MW233.21 g/mol
LogP-0.05
Rot. Bonds1

About 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol

1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 86769483) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID86769483
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Name1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCS(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO3S/c1-14(12,13)10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3
InChIKeyOJRZDYGWEDGTCX-UHFFFAOYSA-N
XLogP-0.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 86769483) is 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is CS(=O)(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is OJRZDYGWEDGTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c1-14(12,13)10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3.
What are the key properties of 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol?
1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 233.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 86769483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).