3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H16F3NOS — CID 71875466

IUPAC3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(SC2CCCC2)CCN1CC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)7-15-6-5-9(10(15)16)17-8-3-1-2-4-8/h8-9H,1-7H2
InChIKeyMWLQUJZPXSBPAW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.83
Rot. Bonds3

About 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 71875466) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID71875466
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(SC2CCCC2)CCN1CC(F)(F)F
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)7-15-6-5-9(10(15)16)17-8-3-1-2-4-8/h8-9H,1-7H2
InChIKeyMWLQUJZPXSBPAW-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 71875466) is 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(SC2CCCC2)CCN1CC(F)(F)F.
What is the InChIKey of 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is MWLQUJZPXSBPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c12-11(13,14)7-15-6-5-9(10(15)16)17-8-3-1-2-4-8/h8-9H,1-7H2.
What are the key properties of 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 267.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 71875466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).