3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine

C11H13ClFNO — CID 46219223

IUPAC3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine
SMILESCOC1(c2cc(F)cc(Cl)c2)CCNC1
InChIInChI=1S/C11H13ClFNO/c1-15-11(2-3-14-7-11)8-4-9(12)6-10(13)5-8/h4-6,14H,2-3,7H2,1H3
InChIKeyLXRUOFXRTGDYMF-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.31
Rot. Bonds2

About 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine

3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine (PubChem CID 46219223) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine
PubChem CID46219223
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine
SMILESCOC1(c2cc(F)cc(Cl)c2)CCNC1
InChIInChI=1S/C11H13ClFNO/c1-15-11(2-3-14-7-11)8-4-9(12)6-10(13)5-8/h4-6,14H,2-3,7H2,1H3
InChIKeyLXRUOFXRTGDYMF-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine?
The IUPAC name of 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine (CID 46219223) is 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine.
What is the SMILES notation for 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine?
The canonical SMILES for 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine is COC1(c2cc(F)cc(Cl)c2)CCNC1.
What is the InChIKey of 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine?
The InChIKey is LXRUOFXRTGDYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-11(2-3-14-7-11)8-4-9(12)6-10(13)5-8/h4-6,14H,2-3,7H2,1H3.
What are the key properties of 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine?
3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine has a molecular weight of 229.68 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorophenyl)-3-methoxypyrrolidine is sourced from PubChem (CID 46219223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).