2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone

C15H18F3NOS — CID 18342565

IUPAC2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(CCSc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)14(20)19-9-6-12(7-10-19)8-11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyRLQJLEWPLNMMNK-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.97
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone (PubChem CID 18342565) has the molecular formula C15H18F3NOS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone
PubChem CID18342565
Molecular FormulaC15H18F3NOS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone
SMILESO=C(N1CCC(CCSc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)14(20)19-9-6-12(7-10-19)8-11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyRLQJLEWPLNMMNK-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone 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 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone (CID 18342565) is 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone is O=C(N1CCC(CCSc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone?
The InChIKey is RLQJLEWPLNMMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NOS/c16-15(17,18)14(20)19-9-6-12(7-10-19)8-11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone has a molecular weight of 317.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(2-phenylsulfanylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 18342565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).