4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine

C18H17F4NOS — CID 11326200

IUPAC4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine
SMILESFc1ccc(Sc2ccc(OC(F)(F)F)cc2)c(C2CCNCC2)c1
InChIInChI=1S/C18H17F4NOS/c19-13-1-6-17(16(11-13)12-7-9-23-10-8-12)25-15-4-2-14(3-5-15)24-18(20,21)22/h1-6,11-12,23H,7-10H2
InChIKeyFQLKIHMMTRIFCO-UHFFFAOYSA-N
MW371.40 g/mol
LogP5.34
Rot. Bonds4

About 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine

4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine (PubChem CID 11326200) has the molecular formula C18H17F4NOS and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine
PubChem CID11326200
Molecular FormulaC18H17F4NOS
Molecular Weight371.40 g/mol
Exact Mass371.10
IUPAC Name4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine
SMILESFc1ccc(Sc2ccc(OC(F)(F)F)cc2)c(C2CCNCC2)c1
InChIInChI=1S/C18H17F4NOS/c19-13-1-6-17(16(11-13)12-7-9-23-10-8-12)25-15-4-2-14(3-5-15)24-18(20,21)22/h1-6,11-12,23H,7-10H2
InChIKeyFQLKIHMMTRIFCO-UHFFFAOYSA-N
XLogP5.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluorophenyl)-3-[(4-methoxyphenyl)sulfanylmethyl]-1-methylpiperidine;hydrochloride
CID 23723150
Benzeneethanamine, 2-((4-methoxyphenyl)thio)-N,alpha-dimethyl-, hydrochloride
CID 3075830
4-({[4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methyl}sulfanyl)phenyl methyl ether
CID 11834839
4-[3-Fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11186135
4-[2-(4-Fluoro-3-methoxyphenyl)sulfanyl-5-methylphenyl]piperidine
CID 11186585
4-[2-(2-Chloro-4-methoxyphenyl)sulfanyl-5-fluorophenyl]piperidine
CID 11187264
4-[2-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluorophenyl]piperidine
CID 11221667
4-[5-Fluoro-2-(2-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11232304
4-[2-Fluoro-6-(4-methoxy-2-methylphenyl)sulfanylphenyl]piperidine
CID 11244444
4-[2-Fluoro-6-(3-methoxyphenyl)sulfanylphenyl]piperidine
CID 11255590
4-[2-(2-Fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
CID 11255956
4-[5-Fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11267037

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine?
The IUPAC name of 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine (CID 11326200) is 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine?
The canonical SMILES for 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine is Fc1ccc(Sc2ccc(OC(F)(F)F)cc2)c(C2CCNCC2)c1.
What is the InChIKey of 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine?
The InChIKey is FQLKIHMMTRIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NOS/c19-13-1-6-17(16(11-13)12-7-9-23-10-8-12)25-15-4-2-14(3-5-15)24-18(20,21)22/h1-6,11-12,23H,7-10H2.
What are the key properties of 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine?
4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine has a molecular weight of 371.40 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]sulfanylphenyl]piperidine is sourced from PubChem (CID 11326200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).