(3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one

C8H7F3O2S — CID 125492390

IUPAC(3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one
SMILESO=C(C[C@@H](O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C8H7F3O2S/c9-8(10,11)7(13)3-6(12)5-1-2-14-4-5/h1-2,4,7,13H,3H2/t7-/m1/s1
InChIKeySOUFDMATEYGUOQ-SSDOTTSWSA-N
MW224.20 g/mol
LogP2.24
Rot. Bonds3

About (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one

(3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one (PubChem CID 125492390) has the molecular formula C8H7F3O2S and a molecular weight of 224.20 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one
PubChem CID125492390
Molecular FormulaC8H7F3O2S
Molecular Weight224.20 g/mol
Exact Mass224.01
IUPAC Name(3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one
SMILESO=C(C[C@@H](O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C8H7F3O2S/c9-8(10,11)7(13)3-6(12)5-1-2-14-4-5/h1-2,4,7,13H,3H2/t7-/m1/s1
InChIKeySOUFDMATEYGUOQ-SSDOTTSWSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid
CID 6611424
2-methyl-4-oxo-4-thiophen-3-ylbutanoic acid
CID 20529994
3,5,5-trimethyl-1-thiophen-3-ylhexan-1-one
CID 114975180
2-methylsulfanyl-1,4-di(thiophen-3-yl)butane-1,4-dione
CID 24864782
1-thiophen-3-ylbut-3-yn-1-one
CID 62234411
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
2-(2-fluorophenyl)-1-thiophen-3-ylethanone
CID 60799392
2-methyl-2-methylsulfanyl-1-thiophen-3-ylpropan-1-one
CID 130648516
thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118270512
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086
2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl thiophene-3-carboxylate
CID 162508370

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one?
The IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one (CID 125492390) is (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one is O=C(C[C@@H](O)C(F)(F)F)c1ccsc1.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one?
The InChIKey is SOUFDMATEYGUOQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7F3O2S/c9-8(10,11)7(13)3-6(12)5-1-2-14-4-5/h1-2,4,7,13H,3H2/t7-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one?
(3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one has a molecular weight of 224.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-hydroxy-1-thiophen-3-ylbutan-1-one is sourced from PubChem (CID 125492390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).