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

C7H5F3OS — CID 14717701

IUPAC1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one
SMILESO=C(CF)C(F)(F)c1cccs1
InChIInChI=1S/C7H5F3OS/c8-4-5(11)7(9,10)6-2-1-3-12-6/h1-3H,4H2
InChIKeyMJYFSTLBWKPWEF-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.38
Rot. Bonds3

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

1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one (PubChem CID 14717701) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one
PubChem CID14717701
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one
SMILESO=C(CF)C(F)(F)c1cccs1
InChIInChI=1S/C7H5F3OS/c8-4-5(11)7(9,10)6-2-1-3-12-6/h1-3H,4H2
InChIKeyMJYFSTLBWKPWEF-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thenoyltrifluoroacetone
CID 5601
2-Acetylthiophene
CID 6920
2-Propionylthiophene
CID 26179
1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
CID 68411
Ethanone, 2,2,2-trifluoro-1-(2-thienyl)-
CID 136464
1-(2-Thienyl)acetone
CID 529394
2-(Thiophen-2-yl)acetaldehyde
CID 6430722
1,1,1-Trifluoro-3-(2-thienyl)acetone
CID 84498
1-(2-Thienyl)-1,2-propanedione
CID 83652
1-(Thiophen-2-yl)prop-2-en-1-one
CID 10103241
1-[5-(Trifluoromethyl)thiophen-2-yl]ethan-1-one
CID 23543740
3,3,3-Trifluoro-1-thiophen-2-ylpropan-1-one
CID 10535796

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one?
The IUPAC name of 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one (CID 14717701) is 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one is O=C(CF)C(F)(F)c1cccs1.
What is the InChIKey of 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one?
The InChIKey is MJYFSTLBWKPWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-4-5(11)7(9,10)6-2-1-3-12-6/h1-3H,4H2.
What are the key properties of 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one?
1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one has a molecular weight of 194.18 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 14717701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).