4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine

C17H16F3NS — CID 11174710

IUPAC4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(F)c1
InChIInChI=1S/C17H16F3NS/c18-12-1-3-16(14(9-12)11-5-7-21-8-6-11)22-17-4-2-13(19)10-15(17)20/h1-4,9-11,21H,5-8H2
InChIKeyXLSPHWGDRCWHSX-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.72
Rot. Bonds3

About 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine

4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine (PubChem CID 11174710) has the molecular formula C17H16F3NS and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine
PubChem CID11174710
Molecular FormulaC17H16F3NS
Molecular Weight323.38 g/mol
Exact Mass323.10
IUPAC Name4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine
SMILESFc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(F)c1
InChIInChI=1S/C17H16F3NS/c18-12-1-3-16(14(9-12)11-5-7-21-8-6-11)22-17-4-2-13(19)10-15(17)20/h1-4,9-11,21H,5-8H2
InChIKeyXLSPHWGDRCWHSX-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Metixene
CID 4167
Tedatioxetine
CID 9878913
N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)-3-phenylpropan-1-amine
CID 10430935
C-(9H-Thioxanthen-9-yl)-methylamine
CID 13167699
N-(2-phenylethyl)-2-(9H-thioxanthen-9-yl)ethanamine
CID 56678302
4-Benzyl-1-(2-phenylsulfanyl-ethyl)-piperidine
CID 12045832
4-[Bis(4-fluorophenyl)methyl]-1-(3-phenylsulfanylpropyl)piperidine
CID 15093877
(3S)-1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
CID 6604302
Piperidine, 3-(thioxanthen-9-ylmethyl)-
CID 3056440
Tiopropamine
CID 65812
4-Benzyl-1-(3-phenylsulfanyl-propyl)-piperidine
CID 12045491
(R)-Methixene
CID 44163540

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine (CID 11174710) is 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine is Fc1ccc(Sc2ccc(F)cc2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
The InChIKey is XLSPHWGDRCWHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NS/c18-12-1-3-16(14(9-12)11-5-7-21-8-6-11)22-17-4-2-13(19)10-15(17)20/h1-4,9-11,21H,5-8H2.
What are the key properties of 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine?
4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine has a molecular weight of 323.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)sulfanyl-5-fluorophenyl]piperidine is sourced from PubChem (CID 11174710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).