3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one

C7H5F3OS — CID 10535796

IUPAC3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one
SMILESO=C(CC(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3OS/c8-7(9,10)4-5(11)6-2-1-3-12-6/h1-3H,4H2
InChIKeyVVEFFNFOTGYTGL-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.88
Rot. Bonds2

About 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one

3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one (PubChem CID 10535796) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one
PubChem CID10535796
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one
SMILESO=C(CC(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3OS/c8-7(9,10)4-5(11)6-2-1-3-12-6/h1-3H,4H2
InChIKeyVVEFFNFOTGYTGL-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one (CID 10535796) is 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one is O=C(CC(F)(F)F)c1cccs1.
What is the InChIKey of 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one?
The InChIKey is VVEFFNFOTGYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-7(9,10)4-5(11)6-2-1-3-12-6/h1-3H,4H2.
What are the key properties of 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one?
3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one has a molecular weight of 194.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 10535796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).