1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone

C6H2BrF3O2 — CID 67324487

IUPAC1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Br)o1)C(F)(F)F
InChIInChI=1S/C6H2BrF3O2/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKeyHIYWTEKPYGTAGN-UHFFFAOYSA-N
MW242.98 g/mol
LogP2.79
Rot. Bonds1

About 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone

1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone (PubChem CID 67324487) has the molecular formula C6H2BrF3O2 and a molecular weight of 242.98 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone
PubChem CID67324487
Molecular FormulaC6H2BrF3O2
Molecular Weight242.98 g/mol
Exact Mass241.92
IUPAC Name1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Br)o1)C(F)(F)F
InChIInChI=1S/C6H2BrF3O2/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H
InChIKeyHIYWTEKPYGTAGN-UHFFFAOYSA-N
XLogP2.79
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.98
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromofuran-2-carboxylate
CID 4069229
1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone
CID 82505041
5-bromofuran-2-carboxamide;hydrochloride
CID 175240071
1-(5-bromofuran-2-yl)propan-1-one
CID 14547080
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 115772130
tert-butyl 5-bromofuran-2-carboxylate
CID 18788676
S-(4-chlorophenyl) 5-bromofuran-2-carbothioate
CID 21204753
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
2-amino-1-(5-bromofuran-2-yl)ethanone;hydrochloride
CID 67834737
(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709568
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone (CID 67324487) is 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone is O=C(c1ccc(Br)o1)C(F)(F)F.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is HIYWTEKPYGTAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3O2/c7-4-2-1-3(12-4)5(11)6(8,9)10/h1-2H.
What are the key properties of 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone?
1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 242.98 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 67324487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).