4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine

C9H8F3NO3S — CID 11832368

IUPAC4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(N1CCOc2ccccc21)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)17(14,15)13-5-6-16-8-4-2-1-3-7(8)13/h1-4H,5-6H2
InChIKeyJFZFPSBXSGFXOL-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.74
Rot. Bonds1

About 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine

4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 11832368) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID11832368
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine
SMILESO=S(=O)(N1CCOc2ccccc21)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c10-9(11,12)17(14,15)13-5-6-16-8-4-2-1-3-7(8)13/h1-4H,5-6H2
InChIKeyJFZFPSBXSGFXOL-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine (CID 11832368) is 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine is O=S(=O)(N1CCOc2ccccc21)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JFZFPSBXSGFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c10-9(11,12)17(14,15)13-5-6-16-8-4-2-1-3-7(8)13/h1-4H,5-6H2.
What are the key properties of 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine?
4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 267.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 11832368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).