6-fluoro-3-nitro-3,4-dihydro-2H-chromene

C9H8FNO3 — CID 55268431

IUPAC6-fluoro-3-nitro-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])C1COc2ccc(F)cc2C1
InChIInChI=1S/C9H8FNO3/c10-7-1-2-9-6(3-7)4-8(5-14-9)11(12)13/h1-3,8H,4-5H2
InChIKeyQUSIOVNJDVXBOM-UHFFFAOYSA-N
MW197.17 g/mol
LogP1.41
Rot. Bonds1

About 6-fluoro-3-nitro-3,4-dihydro-2H-chromene

6-fluoro-3-nitro-3,4-dihydro-2H-chromene (PubChem CID 55268431) has the molecular formula C9H8FNO3 and a molecular weight of 197.17 g/mol. Its IUPAC name is 6-fluoro-3-nitro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-3-nitro-3,4-dihydro-2H-chromene
PubChem CID55268431
Molecular FormulaC9H8FNO3
Molecular Weight197.17 g/mol
Exact Mass197.05
IUPAC Name6-fluoro-3-nitro-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])C1COc2ccc(F)cc2C1
InChIInChI=1S/C9H8FNO3/c10-7-1-2-9-6(3-7)4-8(5-14-9)11(12)13/h1-3,8H,4-5H2
InChIKeyQUSIOVNJDVXBOM-UHFFFAOYSA-N
XLogP1.41
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-nitro-3,4-dihydro-2H-chromene?
The IUPAC name of 6-fluoro-3-nitro-3,4-dihydro-2H-chromene (CID 55268431) is 6-fluoro-3-nitro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-fluoro-3-nitro-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-fluoro-3-nitro-3,4-dihydro-2H-chromene is O=[N+]([O-])C1COc2ccc(F)cc2C1.
What is the InChIKey of 6-fluoro-3-nitro-3,4-dihydro-2H-chromene?
The InChIKey is QUSIOVNJDVXBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c10-7-1-2-9-6(3-7)4-8(5-14-9)11(12)13/h1-3,8H,4-5H2.
What are the key properties of 6-fluoro-3-nitro-3,4-dihydro-2H-chromene?
6-fluoro-3-nitro-3,4-dihydro-2H-chromene has a molecular weight of 197.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-nitro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 55268431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).