8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine

C13H12F3NO — CID 135193066

IUPAC8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESFC(F)(F)C1=CC2NC3=CCCC=C3OC2C=C1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h3-7,10,12,17H,1-2H2
InChIKeyBTSBYTUQJMVYFD-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.96
Rot. Bonds

About 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine

8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine (PubChem CID 135193066) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine.

Molecular Properties

Compound Name8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine
PubChem CID135193066
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESFC(F)(F)C1=CC2NC3=CCCC=C3OC2C=C1
InChIInChI=1S/C13H12F3NO/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h3-7,10,12,17H,1-2H2
InChIKeyBTSBYTUQJMVYFD-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The IUPAC name of 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine (CID 135193066) is 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine.
What is the SMILES notation for 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The canonical SMILES for 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine is FC(F)(F)C1=CC2NC3=CCCC=C3OC2C=C1.
What is the InChIKey of 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The InChIKey is BTSBYTUQJMVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h3-7,10,12,17H,1-2H2.
What are the key properties of 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine?
8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine has a molecular weight of 255.24 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine is sourced from PubChem (CID 135193066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).