4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C14H13F2NO4 — CID 58317055

IUPAC4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCC3CC(F)(F)C3)c2C(=O)N1
InChIInChI=1S/C14H13F2NO4/c15-14(16)5-7(6-14)1-2-8-3-11(19)21-9-4-10(18)17-13(20)12(8)9/h3,7H,1-2,4-6H2,(H,17,18,20)
InChIKeySBDUCLHDEBUHQY-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.43
Rot. Bonds3

About 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317055) has the molecular formula C14H13F2NO4 and a molecular weight of 297.26 g/mol. Its IUPAC name is 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317055
Molecular FormulaC14H13F2NO4
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCC3CC(F)(F)C3)c2C(=O)N1
InChIInChI=1S/C14H13F2NO4/c15-14(16)5-7(6-14)1-2-8-3-11(19)21-9-4-10(18)17-13(20)12(8)9/h3,7H,1-2,4-6H2,(H,17,18,20)
InChIKeySBDUCLHDEBUHQY-UHFFFAOYSA-N
XLogP1.43
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-3,3-difluorocyclopentyl]methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187330
4-[2-(3,3-difluorocyclobutyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187661
4-(5,5-difluoro-4-methylpent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317013
4-[[(1S)-3,3-difluorocyclopentyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317062
4-(5,5-difluoropent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317072
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-[(4,4-difluorocyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317101
4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317102
4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317113
4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317114
4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317125
4-(5-fluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317132

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317055) is 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCC3CC(F)(F)C3)c2C(=O)N1.
What is the InChIKey of 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is SBDUCLHDEBUHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4/c15-14(16)5-7(6-14)1-2-8-3-11(19)21-9-4-10(18)17-13(20)12(8)9/h3,7H,1-2,4-6H2,(H,17,18,20).
What are the key properties of 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 297.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).