2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine

C8H16FNS — CID 131219738

IUPAC2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
SMILESCSCCN1CCCC1CF
InChIInChI=1S/C8H16FNS/c1-11-6-5-10-4-2-3-8(10)7-9/h8H,2-7H2,1H3
InChIKeyCFYQWQIYFZHWKV-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.78
Rot. Bonds4

About 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine

2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine (PubChem CID 131219738) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
PubChem CID131219738
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine
SMILESCSCCN1CCCC1CF
InChIInChI=1S/C8H16FNS/c1-11-6-5-10-4-2-3-8(10)7-9/h8H,2-7H2,1H3
InChIKeyCFYQWQIYFZHWKV-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879
[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 103857733
2-(fluoromethyl)-1-(3-iodopropyl)pyrrolidine
CID 131219742
[1-(4-methylsulfanylbutyl)pyrrolidin-2-yl]methanamine
CID 103089527
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
CID 163972118
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115645119
2-(fluoromethyl)-1-methylsulfanylpiperidine
CID 123298444

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine (CID 131219738) is 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine is CSCCN1CCCC1CF.
What is the InChIKey of 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine?
The InChIKey is CFYQWQIYFZHWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-11-6-5-10-4-2-3-8(10)7-9/h8H,2-7H2,1H3.
What are the key properties of 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine?
2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-(2-methylsulfanylethyl)pyrrolidine is sourced from PubChem (CID 131219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).