5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene

C11H13BrF2O2 — CID 58335267

IUPAC5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene
SMILESCCOC(OCC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2O2/c1-3-15-11(16-4-2)10-8(13)5-7(12)6-9(10)14/h5-6,11H,3-4H2,1-2H3
InChIKeyLAXZKWVVCYMNSN-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.80
Rot. Bonds5

About 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene

5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene (PubChem CID 58335267) has the molecular formula C11H13BrF2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene
PubChem CID58335267
Molecular FormulaC11H13BrF2O2
Molecular Weight295.12 g/mol
Exact Mass294.01
IUPAC Name5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene
SMILESCCOC(OCC)c1c(F)cc(Br)cc1F
InChIInChI=1S/C11H13BrF2O2/c1-3-15-11(16-4-2)10-8(13)5-7(12)6-9(10)14/h5-6,11H,3-4H2,1-2H3
InChIKeyLAXZKWVVCYMNSN-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene (CID 58335267) is 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene is CCOC(OCC)c1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene?
The InChIKey is LAXZKWVVCYMNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O2/c1-3-15-11(16-4-2)10-8(13)5-7(12)6-9(10)14/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene?
5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene has a molecular weight of 295.12 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(diethoxymethyl)-1,3-difluorobenzene is sourced from PubChem (CID 58335267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).