3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine

C15H21F2NO — CID 46207642

IUPAC3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine
SMILESCOC1(c2ccc(F)c(F)c2)CCN(CC(C)C)C1
InChIInChI=1S/C15H21F2NO/c1-11(2)9-18-7-6-15(10-18,19-3)12-4-5-13(16)14(17)8-12/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyKKDRYXBEVIADLL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.17
Rot. Bonds4

About 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine

3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine (PubChem CID 46207642) has the molecular formula C15H21F2NO and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine
PubChem CID46207642
Molecular FormulaC15H21F2NO
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine
SMILESCOC1(c2ccc(F)c(F)c2)CCN(CC(C)C)C1
InChIInChI=1S/C15H21F2NO/c1-11(2)9-18-7-6-15(10-18,19-3)12-4-5-13(16)14(17)8-12/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyKKDRYXBEVIADLL-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine (CID 46207642) is 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine is COC1(c2ccc(F)c(F)c2)CCN(CC(C)C)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine?
The InChIKey is KKDRYXBEVIADLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11(2)9-18-7-6-15(10-18,19-3)12-4-5-13(16)14(17)8-12/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine?
3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine has a molecular weight of 269.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-3-methoxy-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 46207642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).