1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene

C9H8BrClF2O — CID 156587175

IUPAC1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
SMILESCC(F)(F)COc1cccc(Br)c1Cl
InChIInChI=1S/C9H8BrClF2O/c1-9(12,13)5-14-7-4-2-3-6(10)8(7)11/h2-4H,5H2,1H3
InChIKeyMAQZCMXJIFMIJH-UHFFFAOYSA-N
MW285.51 g/mol
LogP4.14
Rot. Bonds3

About 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene

1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene (PubChem CID 156587175) has the molecular formula C9H8BrClF2O and a molecular weight of 285.51 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
PubChem CID156587175
Molecular FormulaC9H8BrClF2O
Molecular Weight285.51 g/mol
Exact Mass283.94
IUPAC Name1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene
SMILESCC(F)(F)COc1cccc(Br)c1Cl
InChIInChI=1S/C9H8BrClF2O/c1-9(12,13)5-14-7-4-2-3-6(10)8(7)11/h2-4H,5H2,1H3
InChIKeyMAQZCMXJIFMIJH-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene?
The IUPAC name of 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene (CID 156587175) is 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene?
The canonical SMILES for 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene is CC(F)(F)COc1cccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene?
The InChIKey is MAQZCMXJIFMIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2O/c1-9(12,13)5-14-7-4-2-3-6(10)8(7)11/h2-4H,5H2,1H3.
What are the key properties of 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene?
1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene has a molecular weight of 285.51 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-(2,2-difluoropropoxy)benzene is sourced from PubChem (CID 156587175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).