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

C12H12FNO — CID 135193068

IUPAC7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESFC1=CC2OC3=CCCC=C3NC2C=C1
InChIInChI=1S/C12H12FNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h3-7,10,12,14H,1-2H2
InChIKeyFEEFFVRDFAZFEY-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.33
Rot. Bonds

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

7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine (PubChem CID 135193068) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine.

Molecular Properties

Compound Name7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
PubChem CID135193068
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine
SMILESFC1=CC2OC3=CCCC=C3NC2C=C1
InChIInChI=1S/C12H12FNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h3-7,10,12,14H,1-2H2
InChIKeyFEEFFVRDFAZFEY-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The IUPAC name of 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine (CID 135193068) is 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine.
What is the SMILES notation for 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The canonical SMILES for 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine is FC1=CC2OC3=CCCC=C3NC2C=C1.
What is the InChIKey of 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
The InChIKey is FEEFFVRDFAZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h3-7,10,12,14H,1-2H2.
What are the key properties of 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine?
7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine has a molecular weight of 205.23 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,5a,9a,10-tetrahydro-2H-phenoxazine is sourced from PubChem (CID 135193068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).