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

C12H8BrF3O2 — CID 102650907

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H8BrF3O2/c13-7-3-4-8(9(6-7)12(14,15)16)11(17)10-2-1-5-18-10/h2-4,6H,1,5H2
InChIKeyNBGDRTOUEUWXID-UHFFFAOYSA-N
MW321.09 g/mol
LogP3.95
Rot. Bonds2

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

[4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102650907) has the molecular formula C12H8BrF3O2 and a molecular weight of 321.09 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
PubChem CID102650907
Molecular FormulaC12H8BrF3O2
Molecular Weight321.09 g/mol
Exact Mass319.97
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H8BrF3O2/c13-7-3-4-8(9(6-7)12(14,15)16)11(17)10-2-1-5-18-10/h2-4,6H,1,5H2
InChIKeyNBGDRTOUEUWXID-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.09
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone (CID 102650907) is [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is NBGDRTOUEUWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3O2/c13-7-3-4-8(9(6-7)12(14,15)16)11(17)10-2-1-5-18-10/h2-4,6H,1,5H2.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 321.09 g/mol, XLogP of 3.95, 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]-(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102650907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).