1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one

C13H10BrFOS — CID 114885453

IUPAC1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1c(F)cccc1Br
InChIInChI=1S/C13H10BrFOS/c14-10-2-1-3-11(15)13(10)12(16)5-4-9-6-7-17-8-9/h1-3,6-8H,4-5H2
InChIKeyZHZRPGRDAHAIID-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one

1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114885453) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
PubChem CID114885453
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
SMILESO=C(CCc1ccsc1)c1c(F)cccc1Br
InChIInChI=1S/C13H10BrFOS/c14-10-2-1-3-11(15)13(10)12(16)5-4-9-6-7-17-8-9/h1-3,6-8H,4-5H2
InChIKeyZHZRPGRDAHAIID-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-6-fluorophenyl)-2-thiophen-3-ylethanone
CID 114559851
1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
CID 114885403
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-bromo-N-cyclopropyl-6-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 114559566
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 114972180
1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114972136
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8610869
2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
CID 29264655
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 106544257
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one (CID 114885453) is 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one is O=C(CCc1ccsc1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is ZHZRPGRDAHAIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c14-10-2-1-3-11(15)13(10)12(16)5-4-9-6-7-17-8-9/h1-3,6-8H,4-5H2.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one?
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 313.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114885453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).