2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene

C8H6BrClF2O — CID 162682388

IUPAC2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene
SMILESCC(F)(F)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrClF2O/c1-8(11,12)13-7-3-2-5(10)4-6(7)9/h2-4H,1H3
InChIKeyMMFHLPVFSUIOAE-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.09
Rot. Bonds2

About 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene

2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene (PubChem CID 162682388) has the molecular formula C8H6BrClF2O and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene
PubChem CID162682388
Molecular FormulaC8H6BrClF2O
Molecular Weight271.49 g/mol
Exact Mass269.93
IUPAC Name2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene
SMILESCC(F)(F)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C8H6BrClF2O/c1-8(11,12)13-7-3-2-5(10)4-6(7)9/h2-4H,1H3
InChIKeyMMFHLPVFSUIOAE-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene?
The IUPAC name of 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene (CID 162682388) is 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene?
The canonical SMILES for 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene is CC(F)(F)Oc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene?
The InChIKey is MMFHLPVFSUIOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2O/c1-8(11,12)13-7-3-2-5(10)4-6(7)9/h2-4H,1H3.
What are the key properties of 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene?
2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene has a molecular weight of 271.49 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene is sourced from PubChem (CID 162682388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).