1,2,3,4-tetrafluoro-10H-phenoxazine

C12H5F4NO — CID 13263497

IUPAC1,2,3,4-tetrafluoro-10H-phenoxazine
SMILESFc1c(F)c(F)c2c(c1F)Nc1ccccc1O2
InChIInChI=1S/C12H5F4NO/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4,17H
InChIKeyHTYHIBUJQCFPEG-UHFFFAOYSA-N
MW255.17 g/mol
LogP4.09
Rot. Bonds

About 1,2,3,4-tetrafluoro-10H-phenoxazine

1,2,3,4-tetrafluoro-10H-phenoxazine (PubChem CID 13263497) has the molecular formula C12H5F4NO and a molecular weight of 255.17 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-10H-phenoxazine.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-10H-phenoxazine
PubChem CID13263497
Molecular FormulaC12H5F4NO
Molecular Weight255.17 g/mol
Exact Mass255.03
IUPAC Name1,2,3,4-tetrafluoro-10H-phenoxazine
SMILESFc1c(F)c(F)c2c(c1F)Nc1ccccc1O2
InChIInChI=1S/C12H5F4NO/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4,17H
InChIKeyHTYHIBUJQCFPEG-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-10H-phenoxazine?
The IUPAC name of 1,2,3,4-tetrafluoro-10H-phenoxazine (CID 13263497) is 1,2,3,4-tetrafluoro-10H-phenoxazine.
What is the SMILES notation for 1,2,3,4-tetrafluoro-10H-phenoxazine?
The canonical SMILES for 1,2,3,4-tetrafluoro-10H-phenoxazine is Fc1c(F)c(F)c2c(c1F)Nc1ccccc1O2.
What is the InChIKey of 1,2,3,4-tetrafluoro-10H-phenoxazine?
The InChIKey is HTYHIBUJQCFPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F4NO/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4,17H.
What are the key properties of 1,2,3,4-tetrafluoro-10H-phenoxazine?
1,2,3,4-tetrafluoro-10H-phenoxazine has a molecular weight of 255.17 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-10H-phenoxazine is sourced from PubChem (CID 13263497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).