2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C10H16F3NS — CID 155123237

IUPAC2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CCSN1CC2CCCC2C1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)4-5-15-14-6-8-2-1-3-9(8)7-14/h8-9H,1-7H2
InChIKeyKFNGVMDXNXFBMZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.32
Rot. Bonds3

About 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 155123237) has the molecular formula C10H16F3NS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID155123237
Molecular FormulaC10H16F3NS
Molecular Weight239.31 g/mol
Exact Mass239.10
IUPAC Name2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESFC(F)(F)CCSN1CC2CCCC2C1
InChIInChI=1S/C10H16F3NS/c11-10(12,13)4-5-15-14-6-8-2-1-3-9(8)7-14/h8-9H,1-7H2
InChIKeyKFNGVMDXNXFBMZ-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 155123237) is 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is FC(F)(F)CCSN1CC2CCCC2C1.
What is the InChIKey of 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is KFNGVMDXNXFBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NS/c11-10(12,13)4-5-15-14-6-8-2-1-3-9(8)7-14/h8-9H,1-7H2.
What are the key properties of 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 239.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylsulfanyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 155123237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).