3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine

C11H13ClFN — CID 67173873

IUPAC3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
SMILESCN1CCC(c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H13ClFN/c1-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3
InChIKeyBXZDYBQLNSCNQW-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.90
Rot. Bonds1

About 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine

3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine (PubChem CID 67173873) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
PubChem CID67173873
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
SMILESCN1CCC(c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H13ClFN/c1-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3
InChIKeyBXZDYBQLNSCNQW-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
(3S)-3-(3-chloro-2-fluorophenyl)-1-methoxypyrrolidine
CID 67403600
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
CID 166167692
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
CID 126546202
2-fluoro-3-(1-methylpiperidin-4-yl)benzonitrile
CID 11535874
N-[[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]methyl]hydroxylamine
CID 117354255
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]-N-methylethanamine
CID 117384986
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine (CID 67173873) is 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine is CN1CCC(c2cccc(Cl)c2F)C1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine?
The InChIKey is BXZDYBQLNSCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-14-6-5-8(7-14)9-3-2-4-10(12)11(9)13/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine?
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine is sourced from PubChem (CID 67173873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).