1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene

C11H9BrF6O2 — CID 102722643

IUPAC1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene
SMILESFC(F)(F)C(OCCOc1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C11H9BrF6O2/c12-7-2-1-3-8(6-7)19-4-5-20-9(10(13,14)15)11(16,17)18/h1-3,6,9H,4-5H2
InChIKeyUDJXLFPFUMIDAB-UHFFFAOYSA-N
MW367.08 g/mol
LogP4.34
Rot. Bonds5

About 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene

1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene (PubChem CID 102722643) has the molecular formula C11H9BrF6O2 and a molecular weight of 367.08 g/mol. Its IUPAC name is 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene
PubChem CID102722643
Molecular FormulaC11H9BrF6O2
Molecular Weight367.08 g/mol
Exact Mass365.97
IUPAC Name1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene
SMILESFC(F)(F)C(OCCOc1cccc(Br)c1)C(F)(F)F
InChIInChI=1S/C11H9BrF6O2/c12-7-2-1-3-8(6-7)19-4-5-20-9(10(13,14)15)11(16,17)18/h1-3,6,9H,4-5H2
InChIKeyUDJXLFPFUMIDAB-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(10,10,10-trifluorodecoxy)benzene
CID 151626696
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
CID 60627615
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene?
The IUPAC name of 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene (CID 102722643) is 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene.
What is the SMILES notation for 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene?
The canonical SMILES for 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene is FC(F)(F)C(OCCOc1cccc(Br)c1)C(F)(F)F.
What is the InChIKey of 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene?
The InChIKey is UDJXLFPFUMIDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF6O2/c12-7-2-1-3-8(6-7)19-4-5-20-9(10(13,14)15)11(16,17)18/h1-3,6,9H,4-5H2.
What are the key properties of 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene?
1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene has a molecular weight of 367.08 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]benzene is sourced from PubChem (CID 102722643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).