4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one

C15H13F2NO4 — CID 87633832

IUPAC4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c(Oc3ccoc3)c2)CN1
InChIInChI=1S/C15H13F2NO4/c16-15(17)22-12-2-1-9(10-6-14(19)18-7-10)5-13(12)21-11-3-4-20-8-11/h1-5,8,10,15H,6-7H2,(H,18,19)
InChIKeyDKERUIBVKXNMDW-UHFFFAOYSA-N
MW309.27 g/mol
LogP3.28
Rot. Bonds5

About 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one

4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one (PubChem CID 87633832) has the molecular formula C15H13F2NO4 and a molecular weight of 309.27 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one
PubChem CID87633832
Molecular FormulaC15H13F2NO4
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(OC(F)F)c(Oc3ccoc3)c2)CN1
InChIInChI=1S/C15H13F2NO4/c16-15(17)22-12-2-1-9(10-6-14(19)18-7-10)5-13(12)21-11-3-4-20-8-11/h1-5,8,10,15H,6-7H2,(H,18,19)
InChIKeyDKERUIBVKXNMDW-UHFFFAOYSA-N
XLogP3.28
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one (CID 87633832) is 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one is O=C1CC(c2ccc(OC(F)F)c(Oc3ccoc3)c2)CN1.
What is the InChIKey of 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one?
The InChIKey is DKERUIBVKXNMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4/c16-15(17)22-12-2-1-9(10-6-14(19)18-7-10)5-13(12)21-11-3-4-20-8-11/h1-5,8,10,15H,6-7H2,(H,18,19).
What are the key properties of 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one?
4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one has a molecular weight of 309.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)-3-(furan-3-yloxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 87633832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).