(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone

C12H13F2NO2 — CID 116560501

IUPAC(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H13F2NO2/c1-17-8-5-11(15-6-8)12(16)7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3
InChIKeyZTDNSEHQHCYUTE-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.52
Rot. Bonds3

About (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone

(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 116560501) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID116560501
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOC1CNC(C(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H13F2NO2/c1-17-8-5-11(15-6-8)12(16)7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3
InChIKeyZTDNSEHQHCYUTE-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone (CID 116560501) is (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone is COC1CNC(C(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is ZTDNSEHQHCYUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-17-8-5-11(15-6-8)12(16)7-2-3-9(13)10(14)4-7/h2-4,8,11,15H,5-6H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone?
(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 241.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 116560501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).