3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine

C12H11F2NO — CID 135193079

IUPAC3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESFC1=CC2OC3=CC(F)CC=C3NC2C=C1
InChIInChI=1S/C12H11F2NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1,3-6,8-9,11,15H,2H2
InChIKeyZEJTUTLIRGXPBB-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.28
Rot. Bonds

About 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine

3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine (PubChem CID 135193079) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine.

Molecular Properties

Compound Name3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
PubChem CID135193079
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESFC1=CC2OC3=CC(F)CC=C3NC2C=C1
InChIInChI=1S/C12H11F2NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1,3-6,8-9,11,15H,2H2
InChIKeyZEJTUTLIRGXPBB-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The IUPAC name of 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine (CID 135193079) is 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine.
What is the SMILES notation for 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The canonical SMILES for 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine is FC1=CC2OC3=CC(F)CC=C3NC2C=C1.
What is the InChIKey of 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The InChIKey is ZEJTUTLIRGXPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1,3-6,8-9,11,15H,2H2.
What are the key properties of 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine has a molecular weight of 223.22 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-difluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine is sourced from PubChem (CID 135193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).