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

C7H5F3OS — CID 14399209

IUPAC1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H5F3OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4H,3H2
InChIKeyRPXYULFGPUFVPH-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.42
Rot. Bonds2

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

1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one (PubChem CID 14399209) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
PubChem CID14399209
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H5F3OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4H,3H2
InChIKeyRPXYULFGPUFVPH-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,3-dimethyl-1-thiophen-3-ylbutan-2-one
CID 116600113
1,1-difluoro-3-thiophen-3-ylpropan-2-one
CID 61055642
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
sodium 2-oxo-3-thiophen-3-ylpropanoate
CID 59933677
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
(2,3,4,5,6-pentafluorophenyl) 2-thiophen-3-ylacetate
CID 10470503
1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
CID 112556312

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one (CID 14399209) is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one?
The InChIKey is RPXYULFGPUFVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4H,3H2.
What are the key properties of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one?
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one has a molecular weight of 194.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 14399209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).