8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene

C9H8FNO2 — CID 91516444

IUPAC8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene
SMILESO=NC1COCc2c(F)cccc21
InChIInChI=1S/C9H8FNO2/c10-8-3-1-2-6-7(8)4-13-5-9(6)11-12/h1-3,9H,4-5H2
InChIKeyRJYREZJQCVAKGK-UHFFFAOYSA-N
MW181.17 g/mol
LogP2.16
Rot. Bonds1

About 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene

8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene (PubChem CID 91516444) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene
PubChem CID91516444
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene
SMILESO=NC1COCc2c(F)cccc21
InChIInChI=1S/C9H8FNO2/c10-8-3-1-2-6-7(8)4-13-5-9(6)11-12/h1-3,9H,4-5H2
InChIKeyRJYREZJQCVAKGK-UHFFFAOYSA-N
XLogP2.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene?
The IUPAC name of 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene (CID 91516444) is 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene?
The canonical SMILES for 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene is O=NC1COCc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene?
The InChIKey is RJYREZJQCVAKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-8-3-1-2-6-7(8)4-13-5-9(6)11-12/h1-3,9H,4-5H2.
What are the key properties of 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene?
8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene has a molecular weight of 181.17 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-nitroso-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 91516444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).