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

C9H8F3NO — CID 51064058

IUPAC7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFC(F)(F)c1ccc2c(c1)OCCN2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5,13H,3-4H2
InChIKeyYEPAXHCFTVUJLJ-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.51
Rot. Bonds

About 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine

7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 51064058) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID51064058
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESFC(F)(F)c1ccc2c(c1)OCCN2
InChIInChI=1S/C9H8F3NO/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5,13H,3-4H2
InChIKeyYEPAXHCFTVUJLJ-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 51064058) is 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is FC(F)(F)c1ccc2c(c1)OCCN2.
What is the InChIKey of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is YEPAXHCFTVUJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5,13H,3-4H2.
What are the key properties of 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine?
7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 203.16 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 51064058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).