4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one

C13H15F2NO2 — CID 144851538

IUPAC4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(c2c(F)cc(O)cc2F)CC1=O
InChIInChI=1S/C13H15F2NO2/c1-2-3-16-7-8(4-12(16)18)13-10(14)5-9(17)6-11(13)15/h5-6,8,17H,2-4,7H2,1H3
InChIKeyOJASKUIPGJQZNU-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.40
Rot. Bonds3

About 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one

4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one (PubChem CID 144851538) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one
PubChem CID144851538
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(c2c(F)cc(O)cc2F)CC1=O
InChIInChI=1S/C13H15F2NO2/c1-2-3-16-7-8(4-12(16)18)13-10(14)5-9(17)6-11(13)15/h5-6,8,17H,2-4,7H2,1H3
InChIKeyOJASKUIPGJQZNU-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one (CID 144851538) is 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one is CCCN1CC(c2c(F)cc(O)cc2F)CC1=O.
What is the InChIKey of 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one?
The InChIKey is OJASKUIPGJQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-2-3-16-7-8(4-12(16)18)13-10(14)5-9(17)6-11(13)15/h5-6,8,17H,2-4,7H2,1H3.
What are the key properties of 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one?
4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one has a molecular weight of 255.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-hydroxyphenyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 144851538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).