2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan

C11H5BrF4O — CID 168526241

IUPAC2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
SMILESFc1cc(C(F)(F)F)cc(-c2ccco2)c1Br
InChIInChI=1S/C11H5BrF4O/c12-10-7(9-2-1-3-17-9)4-6(5-8(10)13)11(14,15)16/h1-5H
InChIKeyATYACQRAPHUNIH-UHFFFAOYSA-N
MW309.06 g/mol
LogP4.87
Rot. Bonds1

About 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan

2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan (PubChem CID 168526241) has the molecular formula C11H5BrF4O and a molecular weight of 309.06 g/mol. Its IUPAC name is 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
PubChem CID168526241
Molecular FormulaC11H5BrF4O
Molecular Weight309.06 g/mol
Exact Mass307.95
IUPAC Name2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
SMILESFc1cc(C(F)(F)F)cc(-c2ccco2)c1Br
InChIInChI=1S/C11H5BrF4O/c12-10-7(9-2-1-3-17-9)4-6(5-8(10)13)11(14,15)16/h1-5H
InChIKeyATYACQRAPHUNIH-UHFFFAOYSA-N
XLogP4.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.06
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan (CID 168526241) is 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan is Fc1cc(C(F)(F)F)cc(-c2ccco2)c1Br.
What is the InChIKey of 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan?
The InChIKey is ATYACQRAPHUNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrF4O/c12-10-7(9-2-1-3-17-9)4-6(5-8(10)13)11(14,15)16/h1-5H.
What are the key properties of 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan?
2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan has a molecular weight of 309.06 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168526241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).