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

C8H7F2NO — CID 13060048

IUPAC7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1F)OCCN2
InChIInChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChIKeyPZPVTXOFDWKYDD-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.77
Rot. Bonds

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

7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 13060048) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID13060048
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
SMILESFc1ccc2c(c1F)OCCN2
InChIInChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChIKeyPZPVTXOFDWKYDD-UHFFFAOYSA-N
XLogP1.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine (CID 13060048) is 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine is Fc1ccc2c(c1F)OCCN2.
What is the InChIKey of 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is PZPVTXOFDWKYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2.
What are the key properties of 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine?
7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 171.15 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 13060048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).