3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine

C8H16FN — CID 58944949

IUPAC3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCCC1CN(C)CC1CF
InChIInChI=1S/C8H16FN/c1-3-7-5-10(2)6-8(7)4-9/h7-8H,3-6H2,1-2H3
InChIKeyFNUBEWJAZHYDOT-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.54
Rot. Bonds2

About 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine

3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine (PubChem CID 58944949) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine
PubChem CID58944949
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine
SMILESCCC1CN(C)CC1CF
InChIInChI=1S/C8H16FN/c1-3-7-5-10(2)6-8(7)4-9/h7-8H,3-6H2,1-2H3
InChIKeyFNUBEWJAZHYDOT-UHFFFAOYSA-N
XLogP1.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Methylpentyl)pyrrolidine
CID 54370492
fluoro-N-propyl-3,4-dimethylpyrrolidine
CID 129762197
1-Methyl-3-propylpyrrolidine
CID 18722953
Tetramethylpyrrolidine
CID 22033887
1-(2-Methylhexyl)pyrrolidine
CID 72457033
Tetramethylpyrrolidine hydro chloride
CID 129814480
Tetraethyl pyrrolidine
CID 129816013
3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
N-[[4-(2,2-difluoroethyl)-1-methylpyrrolidin-3-yl]methyl]-N-ethylethanamine
CID 18723537
N-(2-fluoroethyl)-N,4-dimethylpentan-1-amine
CID 20811854
3-Ethyl-1-(2-fluoroethyl)pyrrolidine
CID 57639817
3-Fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine
CID 58107305

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
The IUPAC name of 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine (CID 58944949) is 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
The canonical SMILES for 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine is CCC1CN(C)CC1CF.
What is the InChIKey of 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
The InChIKey is FNUBEWJAZHYDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-3-7-5-10(2)6-8(7)4-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine?
3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine has a molecular weight of 145.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(fluoromethyl)-1-methylpyrrolidine is sourced from PubChem (CID 58944949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).