2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C15H15F6NOS — CID 2746771

IUPAC2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H15F6NOS/c16-14(17,18)10-4-6-22(7-5-10)13(23)9-24-12-3-1-2-11(8-12)15(19,20)21/h1-3,8,10H,4-7,9H2
InChIKeyOXOCPKNJLGYEME-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.60
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 2746771) has the molecular formula C15H15F6NOS and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID2746771
Molecular FormulaC15H15F6NOS
Molecular Weight371.35 g/mol
Exact Mass371.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CSc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H15F6NOS/c16-14(17,18)10-4-6-22(7-5-10)13(23)9-24-12-3-1-2-11(8-12)15(19,20)21/h1-3,8,10H,4-7,9H2
InChIKeyOXOCPKNJLGYEME-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 2746771) is 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CSc1cccc(C(F)(F)F)c1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is OXOCPKNJLGYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6NOS/c16-14(17,18)10-4-6-22(7-5-10)13(23)9-24-12-3-1-2-11(8-12)15(19,20)21/h1-3,8,10H,4-7,9H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 371.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 2746771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).