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

C8H15ClF3NS — CID 66802878

IUPAC4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CSCC1CCNCC1
InChIInChI=1S/C8H14F3NS.ClH/c9-8(10,11)6-13-5-7-1-3-12-4-2-7;/h7,12H,1-6H2;1H
InChIKeyKPGTYAVPCIQFQP-UHFFFAOYSA-N
MW249.73 g/mol
LogP2.70
Rot. Bonds3

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

4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride (PubChem CID 66802878) has the molecular formula C8H15ClF3NS and a molecular weight of 249.73 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride
PubChem CID66802878
Molecular FormulaC8H15ClF3NS
Molecular Weight249.73 g/mol
Exact Mass249.06
IUPAC Name4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)CSCC1CCNCC1
InChIInChI=1S/C8H14F3NS.ClH/c9-8(10,11)6-13-5-7-1-3-12-4-2-7;/h7,12H,1-6H2;1H
InChIKeyKPGTYAVPCIQFQP-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride (CID 66802878) is 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride is Cl.FC(F)(F)CSCC1CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride?
The InChIKey is KPGTYAVPCIQFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS.ClH/c9-8(10,11)6-13-5-7-1-3-12-4-2-7;/h7,12H,1-6H2;1H.
What are the key properties of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride?
4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride has a molecular weight of 249.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 66802878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).