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

C11H8F3NO4 — CID 58317197

IUPAC4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C11H8F3NO4/c12-11(13,14)2-1-5-3-8(17)19-6-4-7(16)15-10(18)9(5)6/h3H,1-2,4H2,(H,15,16,18)
InChIKeyPSIFZPWDSPLQQQ-UHFFFAOYSA-N
MW275.18 g/mol
LogP0.95
Rot. Bonds2

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

4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317197) has the molecular formula C11H8F3NO4 and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317197
Molecular FormulaC11H8F3NO4
Molecular Weight275.18 g/mol
Exact Mass275.04
IUPAC Name4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C11H8F3NO4/c12-11(13,14)2-1-5-3-8(17)19-6-4-7(16)15-10(18)9(5)6/h3H,1-2,4H2,(H,15,16,18)
InChIKeyPSIFZPWDSPLQQQ-UHFFFAOYSA-N
XLogP0.95
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 50.95
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

7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
7-methylidene-4-(5,5,5-trifluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187480
6-(fluoromethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187495
6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187523
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187560
7-methylidene-4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187587
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187647
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(5,5-difluoro-4-methylpent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317013
4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317055
4-butyl-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317059

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317197) is 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCC(F)(F)F)c2C(=O)N1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is PSIFZPWDSPLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO4/c12-11(13,14)2-1-5-3-8(17)19-6-4-7(16)15-10(18)9(5)6/h3H,1-2,4H2,(H,15,16,18).
What are the key properties of 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 275.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).