7,8-difluoro-2H-1,2-benzoxazine

C8H5F2NO — CID 134823990

IUPAC7,8-difluoro-2H-1,2-benzoxazine
SMILESFc1ccc2c(c1F)ONC=C2
InChIInChI=1S/C8H5F2NO/c9-6-2-1-5-3-4-11-12-8(5)7(6)10/h1-4,11H
InChIKeyDFZQCRAJRDORSR-UHFFFAOYSA-N
MW169.13 g/mol
LogP1.83
Rot. Bonds

About 7,8-difluoro-2H-1,2-benzoxazine

7,8-difluoro-2H-1,2-benzoxazine (PubChem CID 134823990) has the molecular formula C8H5F2NO and a molecular weight of 169.13 g/mol. Its IUPAC name is 7,8-difluoro-2H-1,2-benzoxazine.

Molecular Properties

Compound Name7,8-difluoro-2H-1,2-benzoxazine
PubChem CID134823990
Molecular FormulaC8H5F2NO
Molecular Weight169.13 g/mol
Exact Mass169.03
IUPAC Name7,8-difluoro-2H-1,2-benzoxazine
SMILESFc1ccc2c(c1F)ONC=C2
InChIInChI=1S/C8H5F2NO/c9-6-2-1-5-3-4-11-12-8(5)7(6)10/h1-4,11H
InChIKeyDFZQCRAJRDORSR-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2H-1,2-benzoxazine?
The IUPAC name of 7,8-difluoro-2H-1,2-benzoxazine (CID 134823990) is 7,8-difluoro-2H-1,2-benzoxazine.
What is the SMILES notation for 7,8-difluoro-2H-1,2-benzoxazine?
The canonical SMILES for 7,8-difluoro-2H-1,2-benzoxazine is Fc1ccc2c(c1F)ONC=C2.
What is the InChIKey of 7,8-difluoro-2H-1,2-benzoxazine?
The InChIKey is DFZQCRAJRDORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO/c9-6-2-1-5-3-4-11-12-8(5)7(6)10/h1-4,11H.
What are the key properties of 7,8-difluoro-2H-1,2-benzoxazine?
7,8-difluoro-2H-1,2-benzoxazine has a molecular weight of 169.13 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2H-1,2-benzoxazine is sourced from PubChem (CID 134823990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).