2-(fluoromethyl)-1-methylsulfanylpiperidine

C7H14FNS — CID 123298444

IUPAC2-(fluoromethyl)-1-methylsulfanylpiperidine
SMILESCSN1CCCCC1CF
InChIInChI=1S/C7H14FNS/c1-10-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3
InChIKeyFCXUPUPBHHDCCI-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.09
Rot. Bonds2

About 2-(fluoromethyl)-1-methylsulfanylpiperidine

2-(fluoromethyl)-1-methylsulfanylpiperidine (PubChem CID 123298444) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-methylsulfanylpiperidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-methylsulfanylpiperidine
PubChem CID123298444
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-(fluoromethyl)-1-methylsulfanylpiperidine
SMILESCSN1CCCCC1CF
InChIInChI=1S/C7H14FNS/c1-10-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3
InChIKeyFCXUPUPBHHDCCI-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
CID 131219738
3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine
CID 131219742
4-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-1-methylpiperidine
CID 118303288
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
1-chloro-2-methylsulfanylpiperidine
CID 174662650
1,2-diethylpiperidine
CID 19604037
2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine
CID 91128665

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-methylsulfanylpiperidine?
The IUPAC name of 2-(fluoromethyl)-1-methylsulfanylpiperidine (CID 123298444) is 2-(fluoromethyl)-1-methylsulfanylpiperidine.
What is the SMILES notation for 2-(fluoromethyl)-1-methylsulfanylpiperidine?
The canonical SMILES for 2-(fluoromethyl)-1-methylsulfanylpiperidine is CSN1CCCCC1CF.
What is the InChIKey of 2-(fluoromethyl)-1-methylsulfanylpiperidine?
The InChIKey is FCXUPUPBHHDCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-10-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3.
What are the key properties of 2-(fluoromethyl)-1-methylsulfanylpiperidine?
2-(fluoromethyl)-1-methylsulfanylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-methylsulfanylpiperidine is sourced from PubChem (CID 123298444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).