1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one

C13H10F2OS — CID 63773682

IUPAC1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C13H10F2OS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2
InChIKeyCNTHRUZGVBYHPA-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.84
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one

1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 63773682) has the molecular formula C13H10F2OS and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID63773682
Molecular FormulaC13H10F2OS
Molecular Weight252.29 g/mol
Exact Mass252.04
IUPAC Name1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CCc1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C13H10F2OS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2
InChIKeyCNTHRUZGVBYHPA-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-thiophen-2-ylsulfinylethanone
CID 64639086
1-(2,4-difluorophenyl)-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726641
1-(2-bromo-4-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056276
1-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylethanone
CID 61056501
3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 114973258
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 114973239
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355
1-(3,5-difluorophenyl)-4-thiophen-2-ylbutan-2-one
CID 55236513
1-(2,3-dimethylphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973203
4-fluoro-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 107908041

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one (CID 63773682) is 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one is O=C(CCc1cccs1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is CNTHRUZGVBYHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c14-9-3-5-11(12(15)8-9)13(16)6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one?
1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 252.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 63773682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).