7,8-difluoro-3-methyl-2H-1,4-benzoxazine

C9H7F2NO — CID 10943117

IUPAC7,8-difluoro-3-methyl-2H-1,4-benzoxazine
SMILESCC1=Nc2ccc(F)c(F)c2OC1
InChIInChI=1S/C9H7F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3H,4H2,1H3
InChIKeyBLQUEQUJBDELIP-UHFFFAOYSA-N
MW183.16 g/mol
LogP2.45
Rot. Bonds

About 7,8-difluoro-3-methyl-2H-1,4-benzoxazine

7,8-difluoro-3-methyl-2H-1,4-benzoxazine (PubChem CID 10943117) has the molecular formula C9H7F2NO and a molecular weight of 183.16 g/mol. Its IUPAC name is 7,8-difluoro-3-methyl-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7,8-difluoro-3-methyl-2H-1,4-benzoxazine
PubChem CID10943117
Molecular FormulaC9H7F2NO
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name7,8-difluoro-3-methyl-2H-1,4-benzoxazine
SMILESCC1=Nc2ccc(F)c(F)c2OC1
InChIInChI=1S/C9H7F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3H,4H2,1H3
InChIKeyBLQUEQUJBDELIP-UHFFFAOYSA-N
XLogP2.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-methyl-2H-1,4-benzoxazine?
The IUPAC name of 7,8-difluoro-3-methyl-2H-1,4-benzoxazine (CID 10943117) is 7,8-difluoro-3-methyl-2H-1,4-benzoxazine.
What is the SMILES notation for 7,8-difluoro-3-methyl-2H-1,4-benzoxazine?
The canonical SMILES for 7,8-difluoro-3-methyl-2H-1,4-benzoxazine is CC1=Nc2ccc(F)c(F)c2OC1.
What is the InChIKey of 7,8-difluoro-3-methyl-2H-1,4-benzoxazine?
The InChIKey is BLQUEQUJBDELIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3H,4H2,1H3.
What are the key properties of 7,8-difluoro-3-methyl-2H-1,4-benzoxazine?
7,8-difluoro-3-methyl-2H-1,4-benzoxazine has a molecular weight of 183.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-methyl-2H-1,4-benzoxazine is sourced from PubChem (CID 10943117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).