2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride

C6H13ClFN — CID 138114248

IUPAC2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
SMILESCC1CNC(CF)C1.Cl
InChIInChI=1S/C6H12FN.ClH/c1-5-2-6(3-7)8-4-5;/h5-6,8H,2-4H2,1H3;1H
InChIKeyAECLFZURSLZGHQ-UHFFFAOYSA-N
MW153.63 g/mol
LogP1.38
Rot. Bonds1

About 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride

2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride (PubChem CID 138114248) has the molecular formula C6H13ClFN and a molecular weight of 153.63 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
PubChem CID138114248
Molecular FormulaC6H13ClFN
Molecular Weight153.63 g/mol
Exact Mass153.07
IUPAC Name2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
SMILESCC1CNC(CF)C1.Cl
InChIInChI=1S/C6H12FN.ClH/c1-5-2-6(3-7)8-4-5;/h5-6,8H,2-4H2,1H3;1H
InChIKeyAECLFZURSLZGHQ-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
N-methyl-1-[(2R,4R)-4-methylpyrrolidin-2-yl]methanamine
CID 147487511
ethane;4-methyl-2-propylpyrrolidine
CID 170743275
N,N-dimethyl-1-(4-methylpyrrolidin-2-yl)methanamine;ethane
CID 168883366
2-[(4S)-4-methylpyrrolidin-2-yl]acetonitrile
CID 170704101
(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-chloro-N-[[(2S)-4-methylpyrrolidin-2-yl]methyl]ethanamine
CID 131967910
(3S)-3-(fluoromethyl)-5-methylpiperidine
CID 154687014
(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine
CID 89165385
(2S,4S)-4-methyl-2-[(sulfamoylamino)methyl]pyrrolidine
CID 122625851
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride?
The IUPAC name of 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride (CID 138114248) is 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride?
The canonical SMILES for 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride is CC1CNC(CF)C1.Cl.
What is the InChIKey of 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride?
The InChIKey is AECLFZURSLZGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.ClH/c1-5-2-6(3-7)8-4-5;/h5-6,8H,2-4H2,1H3;1H.
What are the key properties of 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride?
2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride is sourced from PubChem (CID 138114248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).