4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one

C11H16F3NOS — CID 168709215

IUPAC4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESO=C1CC(S)CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)7-1-3-8(4-2-7)15-6-9(17)5-10(15)16/h7-9,17H,1-6H2
InChIKeyKFHVLCOMGWZQOB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.64
Rot. Bonds1

About 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one

4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (PubChem CID 168709215) has the molecular formula C11H16F3NOS and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
PubChem CID168709215
Molecular FormulaC11H16F3NOS
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one
SMILESO=C1CC(S)CN1C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3NOS/c12-11(13,14)7-1-3-8(4-2-7)15-6-9(17)5-10(15)16/h7-9,17H,1-6H2
InChIKeyKFHVLCOMGWZQOB-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one (CID 168709215) is 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is O=C1CC(S)CN1C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
The InChIKey is KFHVLCOMGWZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NOS/c12-11(13,14)7-1-3-8(4-2-7)15-6-9(17)5-10(15)16/h7-9,17H,1-6H2.
What are the key properties of 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one?
4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one has a molecular weight of 267.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 168709215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).