6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

C15H7ClF3NO3 — CID 11067824

IUPAC6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H7ClF3NO3/c16-9-3-6-12-11(7-9)13(21)20(14(22)23-12)10-4-1-8(2-5-10)15(17,18)19/h1-7H
InChIKeyREKALUUMWGCNJR-UHFFFAOYSA-N
MW341.67 g/mol
LogP3.62
Rot. Bonds1

About 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione (PubChem CID 11067824) has the molecular formula C15H7ClF3NO3 and a molecular weight of 341.67 g/mol. Its IUPAC name is 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
PubChem CID11067824
Molecular FormulaC15H7ClF3NO3
Molecular Weight341.67 g/mol
Exact Mass341.01
IUPAC Name6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
SMILESO=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H7ClF3NO3/c16-9-3-6-12-11(7-9)13(21)20(14(22)23-12)10-4-1-8(2-5-10)15(17,18)19/h1-7H
InChIKeyREKALUUMWGCNJR-UHFFFAOYSA-N
XLogP3.62
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione?
The IUPAC name of 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione (CID 11067824) is 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione?
The canonical SMILES for 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione is O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione?
The InChIKey is REKALUUMWGCNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3NO3/c16-9-3-6-12-11(7-9)13(21)20(14(22)23-12)10-4-1-8(2-5-10)15(17,18)19/h1-7H.
What are the key properties of 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione?
6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione has a molecular weight of 341.67 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 11067824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).