6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine

C9H9F2NO2 — CID 176901351

IUPAC6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFC(F)Oc1ccc2c(c1)NCCO2
InChIInChI=1S/C9H9F2NO2/c10-9(11)14-6-1-2-8-7(5-6)12-3-4-13-8/h1-2,5,9,12H,3-4H2
InChIKeyKZBZAVPPVVGWAU-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.09
Rot. Bonds2

About 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine

6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 176901351) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID176901351
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFC(F)Oc1ccc2c(c1)NCCO2
InChIInChI=1S/C9H9F2NO2/c10-9(11)14-6-1-2-8-7(5-6)12-3-4-13-8/h1-2,5,9,12H,3-4H2
InChIKeyKZBZAVPPVVGWAU-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine (CID 176901351) is 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine is FC(F)Oc1ccc2c(c1)NCCO2.
What is the InChIKey of 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is KZBZAVPPVVGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)14-6-1-2-8-7(5-6)12-3-4-13-8/h1-2,5,9,12H,3-4H2.
What are the key properties of 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine?
6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 201.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 176901351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).