4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine

C18H18F3NS — CID 11186763

IUPAC4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine
SMILESFC(F)(F)c1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H18F3NS/c19-18(20,21)14-5-7-15(8-6-14)23-17-4-2-1-3-16(17)13-9-11-22-12-10-13/h1-8,13,22H,9-12H2
InChIKeyQJULUDICAXRTQT-UHFFFAOYSA-N
MW337.41 g/mol
LogP5.32
Rot. Bonds3

About 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine

4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine (PubChem CID 11186763) has the molecular formula C18H18F3NS and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine
PubChem CID11186763
Molecular FormulaC18H18F3NS
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine
SMILESFC(F)(F)c1ccc(Sc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H18F3NS/c19-18(20,21)14-5-7-15(8-6-14)23-17-4-2-1-3-16(17)13-9-11-22-12-10-13/h1-8,13,22H,9-12H2
InChIKeyQJULUDICAXRTQT-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine (CID 11186763) is 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine is FC(F)(F)c1ccc(Sc2ccccc2C2CCNCC2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine?
The InChIKey is QJULUDICAXRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NS/c19-18(20,21)14-5-7-15(8-6-14)23-17-4-2-1-3-16(17)13-9-11-22-12-10-13/h1-8,13,22H,9-12H2.
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine?
4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine has a molecular weight of 337.41 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]sulfanylphenyl]piperidine is sourced from PubChem (CID 11186763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).