4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one

C10H16F3NO3S — CID 116572785

IUPAC4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one
SMILESCS(=O)(=O)CCCC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3NO3S/c1-18(16,17)6-2-3-8(15)9(10(11,12)13)4-5-14-7-9/h14H,2-7H2,1H3
InChIKeyRIGJGZHZZNQTNM-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.92
Rot. Bonds5

About 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one

4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one (PubChem CID 116572785) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one
PubChem CID116572785
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one
SMILESCS(=O)(=O)CCCC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H16F3NO3S/c1-18(16,17)6-2-3-8(15)9(10(11,12)13)4-5-14-7-9/h14H,2-7H2,1H3
InChIKeyRIGJGZHZZNQTNM-UHFFFAOYSA-N
XLogP0.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one?
The IUPAC name of 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one (CID 116572785) is 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one.
What is the SMILES notation for 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one?
The canonical SMILES for 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one is CS(=O)(=O)CCCC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one?
The InChIKey is RIGJGZHZZNQTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c1-18(16,17)6-2-3-8(15)9(10(11,12)13)4-5-14-7-9/h14H,2-7H2,1H3.
What are the key properties of 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one?
4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one has a molecular weight of 287.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-[3-(trifluoromethyl)pyrrolidin-3-yl]butan-1-one is sourced from PubChem (CID 116572785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).