5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene

C8H4BrF5O — CID 22913694

IUPAC5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
SMILESFc1cc(Br)cc(F)c1OCC(F)(F)F
InChIInChI=1S/C8H4BrF5O/c9-4-1-5(10)7(6(11)2-4)15-3-8(12,13)14/h1-2H,3H2
InChIKeyPKBORPYIKXALHI-UHFFFAOYSA-N
MW291.01 g/mol
LogP3.67
Rot. Bonds2

About 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene

5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 22913694) has the molecular formula C8H4BrF5O and a molecular weight of 291.01 g/mol. Its IUPAC name is 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID22913694
Molecular FormulaC8H4BrF5O
Molecular Weight291.01 g/mol
Exact Mass289.94
IUPAC Name5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene
SMILESFc1cc(Br)cc(F)c1OCC(F)(F)F
InChIInChI=1S/C8H4BrF5O/c9-4-1-5(10)7(6(11)2-4)15-3-8(12,13)14/h1-2H,3H2
InChIKeyPKBORPYIKXALHI-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.01
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene (CID 22913694) is 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene is Fc1cc(Br)cc(F)c1OCC(F)(F)F.
What is the InChIKey of 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is PKBORPYIKXALHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5O/c9-4-1-5(10)7(6(11)2-4)15-3-8(12,13)14/h1-2H,3H2.
What are the key properties of 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene?
5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 291.01 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 22913694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).