(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine

C13H17F2NO — CID 71040970

IUPAC(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-17-7-6-16-5-4-11(9-16)10-2-3-12(14)13(15)8-10/h2-3,8,11H,4-7,9H2,1H3/t11-/m0/s1
InChIKeySKROAGLVTRGCMS-NSHDSACASA-N
MW241.28 g/mol
LogP2.40
Rot. Bonds4

About (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine

(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine (PubChem CID 71040970) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
PubChem CID71040970
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
SMILESCOCCN1CC[C@H](c2ccc(F)c(F)c2)C1
InChIInChI=1S/C13H17F2NO/c1-17-7-6-16-5-4-11(9-16)10-2-3-12(14)13(15)8-10/h2-3,8,11H,4-7,9H2,1H3/t11-/m0/s1
InChIKeySKROAGLVTRGCMS-NSHDSACASA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The IUPAC name of (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine (CID 71040970) is (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine is COCCN1CC[C@H](c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
The InChIKey is SKROAGLVTRGCMS-NSHDSACASA-N. The full InChI is InChI=1S/C13H17F2NO/c1-17-7-6-16-5-4-11(9-16)10-2-3-12(14)13(15)8-10/h2-3,8,11H,4-7,9H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine?
(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine has a molecular weight of 241.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine is sourced from PubChem (CID 71040970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).