1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one

C8H7F3OS — CID 131165941

IUPAC1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one
SMILESCCC(=O)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H7F3OS/c1-2-6(12)5-3-4-13-7(5)8(9,10)11/h3-4H,2H2,1H3
InChIKeyDECNUMYPCBAHHB-UHFFFAOYSA-N
MW208.20 g/mol
LogP3.36
Rot. Bonds2

About 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one

1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one (PubChem CID 131165941) has the molecular formula C8H7F3OS and a molecular weight of 208.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one
PubChem CID131165941
Molecular FormulaC8H7F3OS
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one
SMILESCCC(=O)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H7F3OS/c1-2-6(12)5-3-4-13-7(5)8(9,10)11/h3-4H,2H2,1H3
InChIKeyDECNUMYPCBAHHB-UHFFFAOYSA-N
XLogP3.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one?
The IUPAC name of 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one (CID 131165941) is 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one is CCC(=O)c1ccsc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one?
The InChIKey is DECNUMYPCBAHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3OS/c1-2-6(12)5-3-4-13-7(5)8(9,10)11/h3-4H,2H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one?
1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one has a molecular weight of 208.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)thiophen-3-yl]propan-1-one is sourced from PubChem (CID 131165941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).