2-(trifluoromethyl)-4H-3,1-benzoxazine

C9H6F3NO — CID 134860139

IUPAC2-(trifluoromethyl)-4H-3,1-benzoxazine
SMILESFC(F)(F)C1=Nc2ccccc2CO1
InChIInChI=1S/C9H6F3NO/c10-9(11,12)8-13-7-4-2-1-3-6(7)5-14-8/h1-4H,5H2
InChIKeyXCDJDJAPITVTJH-UHFFFAOYSA-N
MW201.15 g/mol
LogP2.81
Rot. Bonds

About 2-(trifluoromethyl)-4H-3,1-benzoxazine

2-(trifluoromethyl)-4H-3,1-benzoxazine (PubChem CID 134860139) has the molecular formula C9H6F3NO and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4H-3,1-benzoxazine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4H-3,1-benzoxazine
PubChem CID134860139
Molecular FormulaC9H6F3NO
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name2-(trifluoromethyl)-4H-3,1-benzoxazine
SMILESFC(F)(F)C1=Nc2ccccc2CO1
InChIInChI=1S/C9H6F3NO/c10-9(11,12)8-13-7-4-2-1-3-6(7)5-14-8/h1-4H,5H2
InChIKeyXCDJDJAPITVTJH-UHFFFAOYSA-N
XLogP2.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 168290603
CID 168290603
CID 12334306
CID 12334306
CID 23583338
CID 23583338
CID 168284120
CID 168284120
CID 131851352
CID 131851352
CID 15084981
CID 15084981
CID 61504409
CID 61504409
CID 63331648
CID 63331648
CID 21226449
CID 21226449
CID 290892
CID 290892
CID 10725495
CID 10725495
CID 10998271
CID 10998271

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4H-3,1-benzoxazine?
The IUPAC name of 2-(trifluoromethyl)-4H-3,1-benzoxazine (CID 134860139) is 2-(trifluoromethyl)-4H-3,1-benzoxazine.
What is the SMILES notation for 2-(trifluoromethyl)-4H-3,1-benzoxazine?
The canonical SMILES for 2-(trifluoromethyl)-4H-3,1-benzoxazine is FC(F)(F)C1=Nc2ccccc2CO1.
What is the InChIKey of 2-(trifluoromethyl)-4H-3,1-benzoxazine?
The InChIKey is XCDJDJAPITVTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO/c10-9(11,12)8-13-7-4-2-1-3-6(7)5-14-8/h1-4H,5H2.
What are the key properties of 2-(trifluoromethyl)-4H-3,1-benzoxazine?
2-(trifluoromethyl)-4H-3,1-benzoxazine has a molecular weight of 201.15 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4H-3,1-benzoxazine is sourced from PubChem (CID 134860139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).