(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone

C12H6BrF3O2 — CID 106856635

IUPAC(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1ccoc1Br
InChIInChI=1S/C12H6BrF3O2/c13-11-8(5-6-18-11)10(17)7-3-1-2-4-9(7)12(14,15)16/h1-6H
InChIKeyXKZCUJHKZKLPCA-UHFFFAOYSA-N
MW319.08 g/mol
LogP4.29
Rot. Bonds2

About (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone

(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 106856635) has the molecular formula C12H6BrF3O2 and a molecular weight of 319.08 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID106856635
Molecular FormulaC12H6BrF3O2
Molecular Weight319.08 g/mol
Exact Mass317.95
IUPAC Name(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)c1ccoc1Br
InChIInChI=1S/C12H6BrF3O2/c13-11-8(5-6-18-11)10(17)7-3-1-2-4-9(7)12(14,15)16/h1-6H
InChIKeyXKZCUJHKZKLPCA-UHFFFAOYSA-N
XLogP4.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
(2,5-dibromothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344981
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 116590130
potassium 2-(trifluoromethyl)benzoate
CID 162538888
1-[2-bromo-3-(trifluoromethyl)phenyl]ethanone
CID 58572634
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 106851230
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 106856635) is (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is XKZCUJHKZKLPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3O2/c13-11-8(5-6-18-11)10(17)7-3-1-2-4-9(7)12(14,15)16/h1-6H.
What are the key properties of (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone?
(2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 319.08 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 106856635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).