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

C11H13ClFNO — CID 90124088

IUPAC1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
SMILESCOC1CCN(c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H13ClFNO/c1-15-8-5-6-14(7-8)10-4-2-3-9(12)11(10)13/h2-4,8H,5-7H2,1H3
InChIKeySTYWTVKBAJRHJY-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.70
Rot. Bonds2

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

1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine (PubChem CID 90124088) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
PubChem CID90124088
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine
SMILESCOC1CCN(c2cccc(Cl)c2F)C1
InChIInChI=1S/C11H13ClFNO/c1-15-8-5-6-14(7-8)10-4-2-3-9(12)11(10)13/h2-4,8H,5-7H2,1H3
InChIKeySTYWTVKBAJRHJY-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-methylpyrrolidin-3-amine
CID 60862142
2-chloro-3-[(3S)-3-methoxypyrrolidin-1-yl]benzenethiol
CID 175604940
(3S)-1-(3-bromo-2-chlorophenyl)-3-methoxypyrrolidine
CID 171782730
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
N-[[2-chloro-6-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 103535818
3-fluoro-4-(3-methoxypyrrolidin-1-yl)-2-phenylpyridine
CID 91558572
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
2-chloro-6-(3-methoxypiperidin-1-yl)benzenecarbothioamide
CID 102958019
2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
CID 103537154
N-[[2-chloro-6-(3-methoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 102961538

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine (CID 90124088) is 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine is COC1CCN(c2cccc(Cl)c2F)C1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine?
The InChIKey is STYWTVKBAJRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-8-5-6-14(7-8)10-4-2-3-9(12)11(10)13/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine?
1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine has a molecular weight of 229.68 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 90124088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).