1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene

C10H9BrF4O2 — CID 65202998

IUPAC1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESFc1cc(OCCOCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H9BrF4O2/c11-8-2-1-7(5-9(8)12)17-4-3-16-6-10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyHUGPCHBBQIHTRW-UHFFFAOYSA-N
MW317.08 g/mol
LogP3.55
Rot. Bonds5

About 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene

1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene (PubChem CID 65202998) has the molecular formula C10H9BrF4O2 and a molecular weight of 317.08 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
PubChem CID65202998
Molecular FormulaC10H9BrF4O2
Molecular Weight317.08 g/mol
Exact Mass315.97
IUPAC Name1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
SMILESFc1cc(OCCOCC(F)(F)F)ccc1Br
InChIInChI=1S/C10H9BrF4O2/c11-8-2-1-7(5-9(8)12)17-4-3-16-6-10(13,14)15/h1-2,5H,3-4,6H2
InChIKeyHUGPCHBBQIHTRW-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.08
LogP ≤ 53.55
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-[2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 107719630
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
3-(4-bromo-3-fluorophenoxy)propane-1-sulfonamide
CID 65202554
1-(4-chlorobut-1-ynyl)-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 65202491
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
[2-fluoro-4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]boronic acid
CID 65203771
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604
2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
CID 83236273
2-[4-[2-(4-bromo-3-fluorophenoxy)ethoxy]phenyl]acetonitrile
CID 63998859
5-(4-bromo-3-fluorophenoxy)-2,2-dimethylpentan-1-amine
CID 65256229
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
CID 65201441

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The IUPAC name of 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene (CID 65202998) is 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The canonical SMILES for 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene is Fc1cc(OCCOCC(F)(F)F)ccc1Br.
What is the InChIKey of 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
The InChIKey is HUGPCHBBQIHTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4O2/c11-8-2-1-7(5-9(8)12)17-4-3-16-6-10(13,14)15/h1-2,5H,3-4,6H2.
What are the key properties of 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene?
1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene has a molecular weight of 317.08 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene is sourced from PubChem (CID 65202998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).