5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid

C10H11BrF2O2S — CID 62942028

IUPAC5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF2O2S/c1-6(4-9(14)15)5-10(12,13)7-2-3-8(11)16-7/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyBUWSUQBLSZKQQS-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.10
Rot. Bonds5

About 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid

5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid (PubChem CID 62942028) has the molecular formula C10H11BrF2O2S and a molecular weight of 313.16 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid
PubChem CID62942028
Molecular FormulaC10H11BrF2O2S
Molecular Weight313.16 g/mol
Exact Mass311.96
IUPAC Name5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid
SMILESCC(CC(=O)O)CC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF2O2S/c1-6(4-9(14)15)5-10(12,13)7-2-3-8(11)16-7/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyBUWSUQBLSZKQQS-UHFFFAOYSA-N
XLogP4.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid?
The IUPAC name of 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid (CID 62942028) is 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid is CC(CC(=O)O)CC(F)(F)c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid?
The InChIKey is BUWSUQBLSZKQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2O2S/c1-6(4-9(14)15)5-10(12,13)7-2-3-8(11)16-7/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid?
5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid has a molecular weight of 313.16 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-5,5-difluoro-3-methylpentanoic acid is sourced from PubChem (CID 62942028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).