5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one

C14H17F2NO2 — CID 104687544

IUPAC5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2ccccc2OC(F)F)CCC(=O)N1
InChIInChI=1S/C14H17F2NO2/c1-2-14(8-7-12(18)17-14)9-10-5-3-4-6-11(10)19-13(15)16/h3-6,13H,2,7-9H2,1H3,(H,17,18)
InChIKeyAFANVMGZNIAONW-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.89
Rot. Bonds5

About 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one

5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one (PubChem CID 104687544) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
PubChem CID104687544
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2ccccc2OC(F)F)CCC(=O)N1
InChIInChI=1S/C14H17F2NO2/c1-2-14(8-7-12(18)17-14)9-10-5-3-4-6-11(10)19-13(15)16/h3-6,13H,2,7-9H2,1H3,(H,17,18)
InChIKeyAFANVMGZNIAONW-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687413
5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
CID 104687587
5-[(2-ethoxyphenyl)methyl]-5-propan-2-ylpyrrolidin-2-one
CID 104687917
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
5-ethyl-5-[[4-(methoxymethyl)phenyl]methyl]pyrrolidin-2-one
CID 113441378
2-[2-(difluoromethoxy)phenyl]-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)acetamide
CID 126799465
5-[(2,3-dimethylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687622
1-(difluoromethoxy)-2-(2,2-dimethylbutyl)benzene
CID 21025673
dichloroplatinum;2-[2-(difluoromethoxy)phenyl]acetonitrile
CID 159199429
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
CID 66182713
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
5-butyl-3-[[2-(difluoromethoxy)phenyl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24604028

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
The IUPAC name of 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one (CID 104687544) is 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
The canonical SMILES for 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one is CCC1(Cc2ccccc2OC(F)F)CCC(=O)N1.
What is the InChIKey of 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
The InChIKey is AFANVMGZNIAONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-2-14(8-7-12(18)17-14)9-10-5-3-4-6-11(10)19-13(15)16/h3-6,13H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one has a molecular weight of 269.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 104687544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).