2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one

C13H10F2O2S — CID 164672072

IUPAC2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one
SMILESO=C(c1cccs1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C13H10F2O2S/c14-13(15,12(17)10-7-4-8-18-10)11(16)9-5-2-1-3-6-9/h1-8,11,16H
InChIKeyGOVANJOGXSLUDW-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.30
Rot. Bonds4

About 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one

2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one (PubChem CID 164672072) has the molecular formula C13H10F2O2S and a molecular weight of 268.28 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one
PubChem CID164672072
Molecular FormulaC13H10F2O2S
Molecular Weight268.28 g/mol
Exact Mass268.04
IUPAC Name2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one
SMILESO=C(c1cccs1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C13H10F2O2S/c14-13(15,12(17)10-7-4-8-18-10)11(16)9-5-2-1-3-6-9/h1-8,11,16H
InChIKeyGOVANJOGXSLUDW-UHFFFAOYSA-N
XLogP3.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Thiophen-2-yl)benzoic acid
CID 736498
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
2-(2-Thienylcarbonyl)benzoic acid
CID 282654
4,4,4-Trifluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylbutan-1-one
CID 2832877
3-[5-(Trifluoroacetyl)thiophen-2-yl]benzoic Acid
CID 24896624
4-[5-(Trifluoroacetyl)-2-thienyl]benzoic acid
CID 44541232
3-Hydroxy-1,3-dithiophen-2-ylpropan-1-one
CID 68500789
3-(Thien-2-yl)benzoic acid
CID 736861
5-(4-Fluorophenyl)thiophene-2-carboxylic acid
CID 1873401
3-phenylthiophene-2-carboxylic Acid
CID 2517625
2-(Thiophen-2-yl)benzoic acid
CID 5105623
4-(2-Thienylmethyl)benzoic acid
CID 20038987

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one (CID 164672072) is 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one is O=C(c1cccs1)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one?
The InChIKey is GOVANJOGXSLUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2S/c14-13(15,12(17)10-7-4-8-18-10)11(16)9-5-2-1-3-6-9/h1-8,11,16H.
What are the key properties of 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one?
2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one has a molecular weight of 268.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-phenyl-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 164672072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).