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

C9H9F2NO — CID 10219718

IUPAC7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1COc2c(ccc(F)c2F)N1
InChIInChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3
InChIKeyBVHSAZFNVBBGNX-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.16
Rot. Bonds

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

7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 10219718) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID10219718
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1COc2c(ccc(F)c2F)N1
InChIInChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3
InChIKeyBVHSAZFNVBBGNX-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 10219718) is 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1COc2c(ccc(F)c2F)N1.
What is the InChIKey of 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is BVHSAZFNVBBGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11/h2-3,5,12H,4H2,1H3.
What are the key properties of 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine?
7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 185.17 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 10219718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).