2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone

C10H11F3OS — CID 83957731

IUPAC2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone
SMILESCC(C)Cc1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3OS/c1-6(2)5-7-3-4-8(15-7)9(14)10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyQHLTWYPCGBKEQY-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.69
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone (PubChem CID 83957731) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone
PubChem CID83957731
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone
SMILESCC(C)Cc1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C10H11F3OS/c1-6(2)5-7-3-4-8(15-7)9(14)10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyQHLTWYPCGBKEQY-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone (CID 83957731) is 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone is CC(C)Cc1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone?
The InChIKey is QHLTWYPCGBKEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-6(2)5-7-3-4-8(15-7)9(14)10(11,12)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone has a molecular weight of 236.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(2-methylpropyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 83957731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).