2,3-Difluoro-6-nitro{[2-(tetrahydropyran-2-yl)oxypropyl]oxy}benzene

HCID 14697178

Notes Reactions

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Basic information

Standard SMILES: CC(COc1c([N+](=O)[O-])ccc(F)c1F)OC1CCCCO1
InChIKey: MZRIVLOAWMCWBS-UHFFFAOYSA-N
Molecular formula: C14H17F2NO5
Average molar mass: 317.28 g/mol

Names & identifiers

Preferred name: 2,3-Difluoro-6-nitro{[2-(tetrahydropyran-2-yl)oxypropyl]oxy}benzene
IUPAC: 2-[1-(2,3-difluoro-6-nitrophenoxy)propan-2-yloxy]oxane

Names & synonyms

SCHEMBL8979375MZRIVLOAWMCWBS-UHFFFAOYSA-N2,3-Difluoro-6-nitro-{[2-(tetrahydropyran-2-yl)oxypropyl]oxy}benzene2,3-difluoro-6-nitro{[2-(tetrahydropyran-2-yl)oxypropyl]oxy}benzene

Database identifiers

PubChem CID: 14697178

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 73.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 368

Related reactions

8 records

New reaction record

HRID 187367As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 803138As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 846326As productuspto-grants-1992_08

HRID 846327As reactantuspto-grants-1992_08

HRID 846332As reactantuspto-grants-1992_08

HRID 1034036As reactantuspto-grants-1994_05

HRID 1126583As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1216150As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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