(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine

C13H18FNO — CID 71041218

IUPAC(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-16-8-7-15-6-5-12(10-15)11-3-2-4-13(14)9-11/h2-4,9,12H,5-8,10H2,1H3/t12-/m0/s1
InChIKeyCBWSXHCXBSMGAQ-LBPRGKRZSA-N
MW223.29 g/mol
LogP2.26
Rot. Bonds4

About (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine

(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (PubChem CID 71041218) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
PubChem CID71041218
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC[C@H](c2cccc(F)c2)C1
InChIInChI=1S/C13H18FNO/c1-16-8-7-15-6-5-12(10-15)11-3-2-4-13(14)9-11/h2-4,9,12H,5-8,10H2,1H3/t12-/m0/s1
InChIKeyCBWSXHCXBSMGAQ-LBPRGKRZSA-N
XLogP2.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine (CID 71041218) is (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine is COCCN1CC[C@H](c2cccc(F)c2)C1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is CBWSXHCXBSMGAQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-8-7-15-6-5-12(10-15)11-3-2-4-13(14)9-11/h2-4,9,12H,5-8,10H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
(3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 71041218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).