1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one

C7H4BrClF2OS — CID 130927855

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H4BrClF2OS/c1-7(10,11)5(12)4-2-3(9)6(8)13-4/h2H,1H3
InChIKeyBLZBAXIIGOCNQG-UHFFFAOYSA-N
MW289.53 g/mol
LogP4.00
Rot. Bonds2

About 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one

1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one (PubChem CID 130927855) has the molecular formula C7H4BrClF2OS and a molecular weight of 289.53 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
PubChem CID130927855
Molecular FormulaC7H4BrClF2OS
Molecular Weight289.53 g/mol
Exact Mass287.88
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H4BrClF2OS/c1-7(10,11)5(12)4-2-3(9)6(8)13-4/h2H,1H3
InChIKeyBLZBAXIIGOCNQG-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one (CID 130927855) is 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
The InChIKey is BLZBAXIIGOCNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2OS/c1-7(10,11)5(12)4-2-3(9)6(8)13-4/h2H,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one?
1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one has a molecular weight of 289.53 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 130927855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).