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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Related Compounds

(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
6-fluoro-3-pentyl-3,4-dihydro-2H-chromene
CID 151913158
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82600925
3-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-5,5-dimethylimidazolidine-2,4-dione
CID 154799491
4-[(6-fluoro-3,4-dihydro-2H-chromen-3-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014602
7-fluoro-3-(trifluoromethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 146205394
6-fluoro-4-methylidene-3-(2-nitroethyl)-2,3-dihydrochromene
CID 89193832
2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
CID 174756922
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115

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).