5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one

C14H17F2NO2 — CID 104687413

IUPAC5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2ccc(OC(F)F)cc2)CCC(=O)N1
InChIInChI=1S/C14H17F2NO2/c1-2-14(8-7-12(18)17-14)9-10-3-5-11(6-4-10)19-13(15)16/h3-6,13H,2,7-9H2,1H3,(H,17,18)
InChIKeyWYEFMOCOXIAFRE-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.89
Rot. Bonds5

About 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one

5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one (PubChem CID 104687413) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
PubChem CID104687413
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
SMILESCCC1(Cc2ccc(OC(F)F)cc2)CCC(=O)N1
InChIInChI=1S/C14H17F2NO2/c1-2-14(8-7-12(18)17-14)9-10-3-5-11(6-4-10)19-13(15)16/h3-6,13H,2,7-9H2,1H3,(H,17,18)
InChIKeyWYEFMOCOXIAFRE-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-ethyl-5-[(4-pentoxyphenyl)methyl]pyrrolidin-2-one
CID 104687527
5-[[2-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one
CID 104687544
5-ethyl-5-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-one
CID 104687511
5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687674
5-propan-2-yl-5-[(4-propoxyphenyl)methyl]pyrrolidin-2-one
CID 104687812
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 104687535
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
5-[(2,3-dimethoxyphenyl)methyl]-5-ethylpyrrolidin-2-one
CID 104687522
5-[(2-cyclopropylphenyl)methyl]-5-ethylpyrrolidin-2-one
CID 104687587
8-[4-(difluoromethoxy)benzoyl]-1,8-diazaspiro[4.5]decan-2-one
CID 90653687
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one
CID 103439890
5-[(3-bromo-4-chlorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687775

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
The IUPAC name of 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one (CID 104687413) is 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one.
What is the SMILES notation for 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
The canonical SMILES for 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one is CCC1(Cc2ccc(OC(F)F)cc2)CCC(=O)N1.
What is the InChIKey of 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
The InChIKey is WYEFMOCOXIAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-2-14(8-7-12(18)17-14)9-10-3-5-11(6-4-10)19-13(15)16/h3-6,13H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 5-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one?
5-[[4-(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-[[4-(difluoromethoxy)phenyl]methyl]-5-ethylpyrrolidin-2-one is sourced from PubChem (CID 104687413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).