3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine

C14H19F2NO — CID 46207637

IUPAC3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine
SMILESCCCN1CCC(OC)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-3-5-17-6-4-14(10-17,18-2)11-7-12(15)9-13(16)8-11/h7-9H,3-6,10H2,1-2H3
InChIKeyNBZVIVANLHQYLQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.92
Rot. Bonds4

About 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine

3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine (PubChem CID 46207637) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine
PubChem CID46207637
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine
SMILESCCCN1CCC(OC)(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C14H19F2NO/c1-3-5-17-6-4-14(10-17,18-2)11-7-12(15)9-13(16)8-11/h7-9H,3-6,10H2,1-2H3
InChIKeyNBZVIVANLHQYLQ-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine?
The IUPAC name of 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine (CID 46207637) is 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine?
The canonical SMILES for 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine is CCCN1CCC(OC)(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine?
The InChIKey is NBZVIVANLHQYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-5-17-6-4-14(10-17,18-2)11-7-12(15)9-13(16)8-11/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine?
3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine has a molecular weight of 255.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-3-methoxy-1-propylpyrrolidine is sourced from PubChem (CID 46207637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).