2-(3-fluorophenyl)-3-methylpyrrolidine

C11H14FN — CID 3582862

IUPAC2-(3-fluorophenyl)-3-methylpyrrolidine
SMILESCC1CCNC1c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-8-5-6-13-11(8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyIQQBNOLXXCPPQW-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.50
Rot. Bonds1

About 2-(3-fluorophenyl)-3-methylpyrrolidine

2-(3-fluorophenyl)-3-methylpyrrolidine (PubChem CID 3582862) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methylpyrrolidine
PubChem CID3582862
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name2-(3-fluorophenyl)-3-methylpyrrolidine
SMILESCC1CCNC1c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-8-5-6-13-11(8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3
InChIKeyIQQBNOLXXCPPQW-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
CID 101397690
ethane;3-methyl-2-phenylpyrrolidine
CID 162762531
2-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine
CID 64687702
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
2-(4-cyclopropylphenyl)-3-methylpyrrolidine
CID 79977348
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
3-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 3540131
2-(3-fluorophenyl)azetidine-3-carboxylic acid
CID 105448727
ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
CID 83855538

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methylpyrrolidine?
The IUPAC name of 2-(3-fluorophenyl)-3-methylpyrrolidine (CID 3582862) is 2-(3-fluorophenyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(3-fluorophenyl)-3-methylpyrrolidine is CC1CCNC1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-methylpyrrolidine?
The InChIKey is IQQBNOLXXCPPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-5-6-13-11(8)9-3-2-4-10(12)7-9/h2-4,7-8,11,13H,5-6H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-methylpyrrolidine?
2-(3-fluorophenyl)-3-methylpyrrolidine has a molecular weight of 179.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methylpyrrolidine is sourced from PubChem (CID 3582862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).