6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one

C11H3F4NO3 — CID 557384

IUPAC6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one
SMILESCc1noc2c1c(=O)oc1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C11H3F4NO3/c1-2-3-9(19-16-2)4-5(12)6(13)7(14)8(15)10(4)18-11(3)17/h1H3
InChIKeyYTVAZUCTZGIHIG-UHFFFAOYSA-N
MW273.14 g/mol
LogP2.80
Rot. Bonds

About 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one

6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one (PubChem CID 557384) has the molecular formula C11H3F4NO3 and a molecular weight of 273.14 g/mol. Its IUPAC name is 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one.

Molecular Properties

Compound Name6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one
PubChem CID557384
Molecular FormulaC11H3F4NO3
Molecular Weight273.14 g/mol
Exact Mass273.00
IUPAC Name6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one
SMILESCc1noc2c1c(=O)oc1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C11H3F4NO3/c1-2-3-9(19-16-2)4-5(12)6(13)7(14)8(15)10(4)18-11(3)17/h1H3
InChIKeyYTVAZUCTZGIHIG-UHFFFAOYSA-N
XLogP2.80
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one?
The IUPAC name of 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one (CID 557384) is 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one.
What is the SMILES notation for 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one?
The canonical SMILES for 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one is Cc1noc2c1c(=O)oc1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one?
The InChIKey is YTVAZUCTZGIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F4NO3/c1-2-3-9(19-16-2)4-5(12)6(13)7(14)8(15)10(4)18-11(3)17/h1H3.
What are the key properties of 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one?
6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one has a molecular weight of 273.14 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrafluoro-3-methylchromeno[3,4-d][1,2]oxazol-4-one is sourced from PubChem (CID 557384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).