1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone

C12H7BrF2OS — CID 105412119

IUPAC1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1csc(Br)c1
InChIInChI=1S/C12H7BrF2OS/c13-12-4-8(6-17-12)11(16)3-7-1-9(14)5-10(15)2-7/h1-2,4-6H,3H2
InChIKeyUCBLBDIVENQDTI-UHFFFAOYSA-N
MW317.15 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone

1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone (PubChem CID 105412119) has the molecular formula C12H7BrF2OS and a molecular weight of 317.15 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
PubChem CID105412119
Molecular FormulaC12H7BrF2OS
Molecular Weight317.15 g/mol
Exact Mass315.94
IUPAC Name1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)cc(F)c1)c1csc(Br)c1
InChIInChI=1S/C12H7BrF2OS/c13-12-4-8(6-17-12)11(16)3-7-1-9(14)5-10(15)2-7/h1-2,4-6H,3H2
InChIKeyUCBLBDIVENQDTI-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone (CID 105412119) is 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)cc(F)c1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone?
The InChIKey is UCBLBDIVENQDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF2OS/c13-12-4-8(6-17-12)11(16)3-7-1-9(14)5-10(15)2-7/h1-2,4-6H,3H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone?
1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone has a molecular weight of 317.15 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 105412119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).