2-fluoro-2H-phenazin-1-one

C12H7FN2O — CID 141029994

IUPAC2-fluoro-2H-phenazin-1-one
SMILESO=C1c2nc3ccccc3nc2C=CC1F
InChIInChI=1S/C12H7FN2O/c13-7-5-6-10-11(12(7)16)15-9-4-2-1-3-8(9)14-10/h1-7H
InChIKeyXTZYIWKMHLHJNY-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.18
Rot. Bonds

About 2-fluoro-2H-phenazin-1-one

2-fluoro-2H-phenazin-1-one (PubChem CID 141029994) has the molecular formula C12H7FN2O and a molecular weight of 214.20 g/mol. Its IUPAC name is 2-fluoro-2H-phenazin-1-one.

Molecular Properties

Compound Name2-fluoro-2H-phenazin-1-one
PubChem CID141029994
Molecular FormulaC12H7FN2O
Molecular Weight214.20 g/mol
Exact Mass214.05
IUPAC Name2-fluoro-2H-phenazin-1-one
SMILESO=C1c2nc3ccccc3nc2C=CC1F
InChIInChI=1S/C12H7FN2O/c13-7-5-6-10-11(12(7)16)15-9-4-2-1-3-8(9)14-10/h1-7H
InChIKeyXTZYIWKMHLHJNY-UHFFFAOYSA-N
XLogP2.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylquinoxaline-2-carbaldehyde
CID 588800
2-Quinoxalinecarboxamide, 3-methyl-
CID 167645
2,3-Dihydropyridazino[4,5-b]quinoxaline-1,4-dione
CID 299558
1-(Quinoxalin-2-yl)ethan-1-one
CID 11105814
3-(Trifluoromethyl)quinoxaline-2-carboxylic acid
CID 66545091
Phenazinone
CID 53433128
1,4-Phenazinedione
CID 332235
Phenyl-(3-phenylquinoxalin-2-yl)methanone
CID 314065
Pyridazino(4,5-b)quinoxalin-1(2H)-one
CID 3046229
1-[3-(Methylsulfinylmethyl)-1-oxidoquinoxalin-1-ium-2-yl]ethanone
CID 44269244
Phenyl[3-(trifluoromethyl)quinoxalin-2-yl]methanone
CID 53248498
2,2-Dimethyl-1-[3-(trifluoromethyl)quinoxalin-2-yl]propan-1-one
CID 53248536

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2H-phenazin-1-one?
The IUPAC name of 2-fluoro-2H-phenazin-1-one (CID 141029994) is 2-fluoro-2H-phenazin-1-one.
What is the SMILES notation for 2-fluoro-2H-phenazin-1-one?
The canonical SMILES for 2-fluoro-2H-phenazin-1-one is O=C1c2nc3ccccc3nc2C=CC1F.
What is the InChIKey of 2-fluoro-2H-phenazin-1-one?
The InChIKey is XTZYIWKMHLHJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O/c13-7-5-6-10-11(12(7)16)15-9-4-2-1-3-8(9)14-10/h1-7H.
What are the key properties of 2-fluoro-2H-phenazin-1-one?
2-fluoro-2H-phenazin-1-one has a molecular weight of 214.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2H-phenazin-1-one is sourced from PubChem (CID 141029994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).