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

C16H16F3NO4 — CID 58317141

IUPAC4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC3CCCC(C(F)(F)F)C3)c2C(=O)N1
InChIInChI=1S/C16H16F3NO4/c17-16(18,19)10-3-1-2-8(5-10)4-9-6-13(22)24-11-7-12(21)20-15(23)14(9)11/h6,8,10H,1-5,7H2,(H,20,21,23)
InChIKeyVIHDOWSJMCPIHM-UHFFFAOYSA-N
MW343.30 g/mol
LogP2.36
Rot. Bonds2

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

4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317141) has the molecular formula C16H16F3NO4 and a molecular weight of 343.30 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317141
Molecular FormulaC16H16F3NO4
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CC3CCCC(C(F)(F)F)C3)c2C(=O)N1
InChIInChI=1S/C16H16F3NO4/c17-16(18,19)10-3-1-2-8(5-10)4-9-6-13(22)24-11-7-12(21)20-15(23)14(9)11/h6,8,10H,1-5,7H2,(H,20,21,23)
InChIKeyVIHDOWSJMCPIHM-UHFFFAOYSA-N
XLogP2.36
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[(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-[(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
4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317142
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317141) is 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CC3CCCC(C(F)(F)F)C3)c2C(=O)N1.
What is the InChIKey of 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is VIHDOWSJMCPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4/c17-16(18,19)10-3-1-2-8(5-10)4-9-6-13(22)24-11-7-12(21)20-15(23)14(9)11/h6,8,10H,1-5,7H2,(H,20,21,23).
What are the key properties of 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 343.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)cyclohexyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).