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

C8H14F3NS — CID 66802879

IUPAC4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine
SMILESFC(F)(F)CSCC1CCNCC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h7,12H,1-6H2
InChIKeyMNNCOOIGKBDHQG-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.28
Rot. Bonds3

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

4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine (PubChem CID 66802879) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine
PubChem CID66802879
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine
SMILESFC(F)(F)CSCC1CCNCC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h7,12H,1-6H2
InChIKeyMNNCOOIGKBDHQG-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-((Ethylsulfanyl)methyl)piperidine hydrochloride
CID 72716513
4-[(Trifluoromethyl)sulfanyl]piperidine hydrochloride
CID 91927161
4-[(Ethylsulfanyl)methyl]piperidine
CID 61683930
4-{[(2,2,2-Trifluoroethyl)sulfanyl]methyl}piperidine hydrochloride
CID 66802878
2-Piperidin-4-yl-2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
CID 68223044
4-[(Trifluoromethyl)sulfanyl]piperidine
CID 75530531
4-(2,2,2-Trifluoroethylsulfanyl)piperidine;hydrochloride
CID 118481424
2-[5-(Trifluoromethyl)piperidin-2-yl]sulfanylethanamine
CID 140479016
3-Ethylsulfanyl-4,4-difluoro-1-methanidylpiperidin-1-ium
CID 147896098
4-Fluoro-4-(methylsulfanylmethyl)piperidine
CID 157040672
3-(Fluoromethyl)-5-methylsulfanylpiperidine
CID 167133112
5-Methyl-2-(trifluoromethylsulfanyl)piperidine;propane
CID 176942168

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine (CID 66802879) is 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine is FC(F)(F)CSCC1CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine?
The InChIKey is MNNCOOIGKBDHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)6-13-5-7-1-3-12-4-2-7/h7,12H,1-6H2.
What are the key properties of 4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine?
4-(2,2,2-trifluoroethylsulfanylmethyl)piperidine has a molecular weight of 213.27 g/mol, XLogP of 2.28, 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 is sourced from PubChem (CID 66802879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).