5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole

C14H16F3NS — CID 162409047

IUPAC5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole
SMILESCC(C)(SC(F)(F)F)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C14H16F3NS/c1-13(2,19-14(15,16)17)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyZAPGYLNKHLNKAF-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.67
Rot. Bonds3

About 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole

5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 162409047) has the molecular formula C14H16F3NS and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole
PubChem CID162409047
Molecular FormulaC14H16F3NS
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole
SMILESCC(C)(SC(F)(F)F)C1CCC(c2ccccc2)=N1
InChIInChI=1S/C14H16F3NS/c1-13(2,19-14(15,16)17)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyZAPGYLNKHLNKAF-UHFFFAOYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole (CID 162409047) is 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole is CC(C)(SC(F)(F)F)C1CCC(c2ccccc2)=N1.
What is the InChIKey of 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is ZAPGYLNKHLNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NS/c1-13(2,19-14(15,16)17)12-9-8-11(18-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole?
5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 287.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 162409047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).