4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one

C17H11BrF3NO2 — CID 134850537

IUPAC4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one
SMILESO=C1C=C(c2ccc(Br)cc2)CN(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C17H11BrF3NO2/c18-13-7-5-11(6-8-13)12-9-16(23)24-22(10-12)15-4-2-1-3-14(15)17(19,20)21/h1-9H,10H2
InChIKeyKCQNOCGKJPVXAX-UHFFFAOYSA-N
MW398.18 g/mol
LogP4.83
Rot. Bonds2

About 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one

4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one (PubChem CID 134850537) has the molecular formula C17H11BrF3NO2 and a molecular weight of 398.18 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one
PubChem CID134850537
Molecular FormulaC17H11BrF3NO2
Molecular Weight398.18 g/mol
Exact Mass396.99
IUPAC Name4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one
SMILESO=C1C=C(c2ccc(Br)cc2)CN(c2ccccc2C(F)(F)F)O1
InChIInChI=1S/C17H11BrF3NO2/c18-13-7-5-11(6-8-13)12-9-16(23)24-22(10-12)15-4-2-1-3-14(15)17(19,20)21/h1-9H,10H2
InChIKeyKCQNOCGKJPVXAX-UHFFFAOYSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.18
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one?
The IUPAC name of 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one (CID 134850537) is 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one.
What is the SMILES notation for 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one?
The canonical SMILES for 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one is O=C1C=C(c2ccc(Br)cc2)CN(c2ccccc2C(F)(F)F)O1.
What is the InChIKey of 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one?
The InChIKey is KCQNOCGKJPVXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF3NO2/c18-13-7-5-11(6-8-13)12-9-16(23)24-22(10-12)15-4-2-1-3-14(15)17(19,20)21/h1-9H,10H2.
What are the key properties of 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one?
4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one has a molecular weight of 398.18 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-oxazin-6-one is sourced from PubChem (CID 134850537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).