4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride

C7H13ClF3NS — CID 118481424

IUPAC4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CSC1CCNCC1
InChIInChI=1S/C7H12F3NS.ClH/c8-7(9,10)5-12-6-1-3-11-4-2-6;/h6,11H,1-5H2;1H
InChIKeyUUNDATFLDPUUDH-UHFFFAOYSA-N
MW235.70 g/mol
LogP2.46
Rot. Bonds2

About 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride

4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride (PubChem CID 118481424) has the molecular formula C7H13ClF3NS and a molecular weight of 235.70 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride
PubChem CID118481424
Molecular FormulaC7H13ClF3NS
Molecular Weight235.70 g/mol
Exact Mass235.04
IUPAC Name4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CSC1CCNCC1
InChIInChI=1S/C7H12F3NS.ClH/c8-7(9,10)5-12-6-1-3-11-4-2-6;/h6,11H,1-5H2;1H
InChIKeyUUNDATFLDPUUDH-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methylsulfanyl)piperidine hydrochloride
CID 50998950
2-(Trifluoromethyl)thiomorpholine
CID 91618373
4-[(Trifluoromethyl)sulfanyl]piperidine hydrochloride
CID 91927161
4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
4-(2,2,2-Trifluoroethylsulfanylmethyl)piperidine
CID 66802879
4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
3-Fluoro-4-methylsulfanylpiperidine
CID 90176868
(+/-)-cis-3-Fluoro-4-methylsulfanylpiperidine
CID 90183725
(3S,4R)-3-fluoro-4-methylsulfanylpiperidine
CID 118661743
(3R)-4,4-difluoropiperidine-3-thiol
CID 124172110
4,4-Difluoropiperidine-3-thiol
CID 124172118
(3S)-4,4-difluoropiperidine-3-thiol
CID 124172146

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride (CID 118481424) is 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride is Cl.FC(F)(F)CSC1CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride?
The InChIKey is UUNDATFLDPUUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS.ClH/c8-7(9,10)5-12-6-1-3-11-4-2-6;/h6,11H,1-5H2;1H.
What are the key properties of 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride?
4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride has a molecular weight of 235.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfanyl)piperidine;hydrochloride is sourced from PubChem (CID 118481424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).