[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone

C14H10BrF3O2 — CID 107332666

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2C(F)(F)F)c(C)o1
InChIInChI=1S/C14H10BrF3O2/c1-7-5-11(8(2)20-7)13(19)10-4-3-9(15)6-12(10)14(16,17)18/h3-6H,1-2H3
InChIKeyLFJGRUZEDDNRFG-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.91
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone

[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 107332666) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID107332666
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Br)cc2C(F)(F)F)c(C)o1
InChIInChI=1S/C14H10BrF3O2/c1-7-5-11(8(2)20-7)13(19)10-4-3-9(15)6-12(10)14(16,17)18/h3-6H,1-2H3
InChIKeyLFJGRUZEDDNRFG-UHFFFAOYSA-N
XLogP4.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone
CID 107332667
(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 63943403
[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
CID 58962414
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one
CID 79189818
[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
CID 63409381
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146011270
4-bromo-N-methoxy-2-(trifluoromethyl)benzamide
CID 103925205
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-one
CID 63409909
(3-amino-5-bromo-2-methylphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 107874180
4-bromo-N-(3-oxopentan-2-yl)-2-(trifluoromethyl)benzamide
CID 107332844
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107332820

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone (CID 107332666) is [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)c2ccc(Br)cc2C(F)(F)F)c(C)o1.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is LFJGRUZEDDNRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c1-7-5-11(8(2)20-7)13(19)10-4-3-9(15)6-12(10)14(16,17)18/h3-6H,1-2H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 347.13 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 107332666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).