2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone

C24H23F2NO3 — CID 19935866

IUPAC2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C24H23F2NO3/c1-29-24(11-12-27(16-24)23(28)22(25)26)20-7-4-8-21(14-20)30-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,22H,11-12,15-16H2,1H3
InChIKeyRHLFZVOYBCFRDM-UHFFFAOYSA-N
MW411.45 g/mol
LogP4.76
Rot. Bonds6

About 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone

2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone (PubChem CID 19935866) has the molecular formula C24H23F2NO3 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone
PubChem CID19935866
Molecular FormulaC24H23F2NO3
Molecular Weight411.45 g/mol
Exact Mass411.16
IUPAC Name2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone
SMILESCOC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCN(C(=O)C(F)F)C1
InChIInChI=1S/C24H23F2NO3/c1-29-24(11-12-27(16-24)23(28)22(25)26)20-7-4-8-21(14-20)30-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,22H,11-12,15-16H2,1H3
InChIKeyRHLFZVOYBCFRDM-UHFFFAOYSA-N
XLogP4.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone (CID 19935866) is 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone is COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone?
The InChIKey is RHLFZVOYBCFRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO3/c1-29-24(11-12-27(16-24)23(28)22(25)26)20-7-4-8-21(14-20)30-15-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,22H,11-12,15-16H2,1H3.
What are the key properties of 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone?
2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone has a molecular weight of 411.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 19935866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).