methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate

C14H15F2NO3 — CID 175838120

IUPACmethyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCC(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO3/c1-20-14(19)7-10-3-5-13(18)17(10)8-9-2-4-11(15)12(16)6-9/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyCAYVNSSHZZWFKX-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.02
Rot. Bonds4

About methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate

methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate (PubChem CID 175838120) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
PubChem CID175838120
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
SMILESCOC(=O)CC1CCC(=O)N1Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NO3/c1-20-14(19)7-10-3-5-13(18)17(10)8-9-2-4-11(15)12(16)6-9/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeyCAYVNSSHZZWFKX-UHFFFAOYSA-N
XLogP2.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate (CID 175838120) is methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate is COC(=O)CC1CCC(=O)N1Cc1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
The InChIKey is CAYVNSSHZZWFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c1-20-14(19)7-10-3-5-13(18)17(10)8-9-2-4-11(15)12(16)6-9/h2,4,6,10H,3,5,7-8H2,1H3.
What are the key properties of methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate?
methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate has a molecular weight of 283.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate is sourced from PubChem (CID 175838120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).