3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one

C19H14FNO4 — CID 90134147

IUPAC3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(c2ccc(Oc3nccc4occc34)cc2F)C(C)OC1=O
InChIInChI=1S/C19H14FNO4/c1-10-17(11(2)24-19(10)22)13-4-3-12(9-15(13)20)25-18-14-6-8-23-16(14)5-7-21-18/h3-9,11H,1-2H3
InChIKeyRSQQHEJNSJBLKD-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.48
Rot. Bonds3

About 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one

3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one (PubChem CID 90134147) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one
PubChem CID90134147
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one
SMILESCC1=C(c2ccc(Oc3nccc4occc34)cc2F)C(C)OC1=O
InChIInChI=1S/C19H14FNO4/c1-10-17(11(2)24-19(10)22)13-4-3-12(9-15(13)20)25-18-14-6-8-23-16(14)5-7-21-18/h3-9,11H,1-2H3
InChIKeyRSQQHEJNSJBLKD-UHFFFAOYSA-N
XLogP4.48
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one?
The IUPAC name of 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one (CID 90134147) is 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one.
What is the SMILES notation for 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one?
The canonical SMILES for 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one is CC1=C(c2ccc(Oc3nccc4occc34)cc2F)C(C)OC1=O.
What is the InChIKey of 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one?
The InChIKey is RSQQHEJNSJBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c1-10-17(11(2)24-19(10)22)13-4-3-12(9-15(13)20)25-18-14-6-8-23-16(14)5-7-21-18/h3-9,11H,1-2H3.
What are the key properties of 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one?
3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one has a molecular weight of 339.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 90134147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).