6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one

C10H8FNO3 — CID 90875418

IUPAC6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1F)C(=O)C(N=O)C2
InChIInChI=1S/C10H8FNO3/c1-15-9-3-5-2-8(12-14)10(13)6(5)4-7(9)11/h3-4,8H,2H2,1H3
InChIKeyRQQUFSBFFXJYSR-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.71
Rot. Bonds2

About 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one

6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one (PubChem CID 90875418) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one
PubChem CID90875418
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1F)C(=O)C(N=O)C2
InChIInChI=1S/C10H8FNO3/c1-15-9-3-5-2-8(12-14)10(13)6(5)4-7(9)11/h3-4,8H,2H2,1H3
InChIKeyRQQUFSBFFXJYSR-UHFFFAOYSA-N
XLogP1.71
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-azido-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 152782403
6-ethoxy-2-fluoro-5-methoxy-2,3-dihydroinden-1-one
CID 149158752
ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
CID 145147315
methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 67550146
2-[(dimethylamino)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 22755555
2-fluoro-3-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495029
2-[(4-fluoropiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 118339063
7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10130349
3-ethylidene-5-fluoro-6-methoxy-1,2-dihydroisoindole
CID 153364923
N-(4-fluorophenyl)-5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carboxamide
CID 122195296
5,6-dimethoxy-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-one
CID 22311400
2-[(E)-but-2-enyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 19036380

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one?
The IUPAC name of 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one (CID 90875418) is 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one?
The canonical SMILES for 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one is COc1cc2c(cc1F)C(=O)C(N=O)C2.
What is the InChIKey of 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one?
The InChIKey is RQQUFSBFFXJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-15-9-3-5-2-8(12-14)10(13)6(5)4-7(9)11/h3-4,8H,2H2,1H3.
What are the key properties of 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one?
6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one has a molecular weight of 209.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-2-nitroso-2,3-dihydroinden-1-one is sourced from PubChem (CID 90875418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).