1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one

C7H5BrF2OS — CID 126985911

IUPAC1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(Br)s1
InChIInChI=1S/C7H5BrF2OS/c1-7(9,10)6(11)4-2-3-5(8)12-4/h2-3H,1H3
InChIKeyMHCSOAGCCVPFDL-UHFFFAOYSA-N
MW255.08 g/mol
LogP3.35
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one

1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one (PubChem CID 126985911) has the molecular formula C7H5BrF2OS and a molecular weight of 255.08 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
PubChem CID126985911
Molecular FormulaC7H5BrF2OS
Molecular Weight255.08 g/mol
Exact Mass253.92
IUPAC Name1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)c1ccc(Br)s1
InChIInChI=1S/C7H5BrF2OS/c1-7(9,10)6(11)4-2-3-5(8)12-4/h2-3H,1H3
InChIKeyMHCSOAGCCVPFDL-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one (CID 126985911) is 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one?
The InChIKey is MHCSOAGCCVPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2OS/c1-7(9,10)6(11)4-2-3-5(8)12-4/h2-3H,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one?
1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one has a molecular weight of 255.08 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 126985911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).