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

C9H7F2NO3 — CID 174756922

IUPAC2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])c1ccc2c(c1)CC(F)C(F)O2
InChIInChI=1S/C9H7F2NO3/c10-7-4-5-3-6(12(13)14)1-2-8(5)15-9(7)11/h1-3,7,9H,4H2
InChIKeyALMFPIWLEMXTBN-UHFFFAOYSA-N
MW215.16 g/mol
LogP2.16
Rot. Bonds1

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

2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene (PubChem CID 174756922) has the molecular formula C9H7F2NO3 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
PubChem CID174756922
Molecular FormulaC9H7F2NO3
Molecular Weight215.16 g/mol
Exact Mass215.04
IUPAC Name2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene
SMILESO=[N+]([O-])c1ccc2c(c1)CC(F)C(F)O2
InChIInChI=1S/C9H7F2NO3/c10-7-4-5-3-6(12(13)14)1-2-8(5)15-9(7)11/h1-3,7,9H,4H2
InChIKeyALMFPIWLEMXTBN-UHFFFAOYSA-N
XLogP2.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 52.16
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

5-nitro-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 88894337
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425
ethane;2-methyl-6-nitro-4H-chromen-3-one
CID 142100004
2-ethyl-6-nitro-3,4-dihydro-2H-chromene
CID 118021532
6-nitro-2-phenyl-4H-1,3-benzodioxine
CID 45117140
2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
CID 11253060
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
3,6-dinitro-9H-xanthene
CID 23462424
2-(difluoromethyl)-6-nitro-2,3-dihydro-1,3-benzoxazin-4-one
CID 70283133
2,2,3,3-tetrafluoro-6-nitro-1,4-benzodioxine
CID 13255697
7-nitro-4,5-dihydro-1,4-benzoxazepin-3-one
CID 712158
(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
CID 124630134

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene?
The IUPAC name of 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene (CID 174756922) is 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene is O=[N+]([O-])c1ccc2c(c1)CC(F)C(F)O2.
What is the InChIKey of 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene?
The InChIKey is ALMFPIWLEMXTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO3/c10-7-4-5-3-6(12(13)14)1-2-8(5)15-9(7)11/h1-3,7,9H,4H2.
What are the key properties of 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene?
2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene has a molecular weight of 215.16 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 2,3-difluoro-6-nitro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 174756922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).