2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one

C10H11F3OS — CID 131211099

IUPAC2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3OS/c1-9(2,3)8(14)6-4-5-7(15-6)10(11,12)13/h4-5H,1-3H3
InChIKeyYQNNBGCXYWGCJL-UHFFFAOYSA-N
MW236.26 g/mol
LogP4.00
Rot. Bonds1

About 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one

2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one (PubChem CID 131211099) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
PubChem CID131211099
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3OS/c1-9(2,3)8(14)6-4-5-7(15-6)10(11,12)13/h4-5H,1-3H3
InChIKeyYQNNBGCXYWGCJL-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one (CID 131211099) is 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one is CC(C)(C)C(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
The InChIKey is YQNNBGCXYWGCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-9(2,3)8(14)6-4-5-7(15-6)10(11,12)13/h4-5H,1-3H3.
What are the key properties of 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one?
2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one has a molecular weight of 236.26 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 131211099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).