2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one

C17H8F3NO3 — CID 3983355

IUPAC2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12
InChIInChI=1S/C17H8F3NO3/c18-17(19,20)10-7-5-9(6-8-10)15-21-13-11-3-1-2-4-12(11)23-14(13)16(22)24-15/h1-8H
InChIKeyGUCGIRRXRRGREB-UHFFFAOYSA-N
MW331.25 g/mol
LogP4.62
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one

2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one (PubChem CID 3983355) has the molecular formula C17H8F3NO3 and a molecular weight of 331.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one
PubChem CID3983355
Molecular FormulaC17H8F3NO3
Molecular Weight331.25 g/mol
Exact Mass331.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12
InChIInChI=1S/C17H8F3NO3/c18-17(19,20)10-7-5-9(6-8-10)15-21-13-11-3-1-2-4-12(11)23-14(13)16(22)24-15/h1-8H
InChIKeyGUCGIRRXRRGREB-UHFFFAOYSA-N
XLogP4.62
TPSA56.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one (CID 3983355) is 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one is O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccccc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one?
The InChIKey is GUCGIRRXRRGREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F3NO3/c18-17(19,20)10-7-5-9(6-8-10)15-21-13-11-3-1-2-4-12(11)23-14(13)16(22)24-15/h1-8H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one?
2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one has a molecular weight of 331.25 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d][1,3]oxazin-4-one is sourced from PubChem (CID 3983355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).