5-bromo-2-ethoxy-1,3-difluorobenzene

C8H7BrF2O — CID 14182035

IUPAC5-bromo-2-ethoxy-1,3-difluorobenzene
SMILESCCOc1c(F)cc(Br)cc1F
InChIInChI=1S/C8H7BrF2O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKeyNDUBLGNFIPJKSL-UHFFFAOYSA-N
MW237.04 g/mol
LogP3.13
Rot. Bonds2

About 5-bromo-2-ethoxy-1,3-difluorobenzene

5-bromo-2-ethoxy-1,3-difluorobenzene (PubChem CID 14182035) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-1,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-2-ethoxy-1,3-difluorobenzene
PubChem CID14182035
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name5-bromo-2-ethoxy-1,3-difluorobenzene
SMILESCCOc1c(F)cc(Br)cc1F
InChIInChI=1S/C8H7BrF2O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChIKeyNDUBLGNFIPJKSL-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-1,3-difluorobenzene?
The IUPAC name of 5-bromo-2-ethoxy-1,3-difluorobenzene (CID 14182035) is 5-bromo-2-ethoxy-1,3-difluorobenzene.
What is the SMILES notation for 5-bromo-2-ethoxy-1,3-difluorobenzene?
The canonical SMILES for 5-bromo-2-ethoxy-1,3-difluorobenzene is CCOc1c(F)cc(Br)cc1F.
What is the InChIKey of 5-bromo-2-ethoxy-1,3-difluorobenzene?
The InChIKey is NDUBLGNFIPJKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-1,3-difluorobenzene?
5-bromo-2-ethoxy-1,3-difluorobenzene has a molecular weight of 237.04 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-1,3-difluorobenzene is sourced from PubChem (CID 14182035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).