1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one

C13H10F2OS — CID 105082505

IUPAC1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1cc(F)ccc1F
InChIInChI=1S/C13H10F2OS/c14-11-1-2-13(15)10(6-11)7-12(16)5-9-3-4-17-8-9/h1-4,6,8H,5,7H2
InChIKeyJSZJJXDFHLXLAG-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one

1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one (PubChem CID 105082505) has the molecular formula C13H10F2OS and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
PubChem CID105082505
Molecular FormulaC13H10F2OS
Molecular Weight252.29 g/mol
Exact Mass252.04
IUPAC Name1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one
SMILESO=C(Cc1ccsc1)Cc1cc(F)ccc1F
InChIInChI=1S/C13H10F2OS/c14-11-1-2-13(15)10(6-11)7-12(16)5-9-3-4-17-8-9/h1-4,6,8H,5,7H2
InChIKeyJSZJJXDFHLXLAG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622073
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2-chloro-6-fluorophenyl)-3-thiophen-3-ylpropan-2-one
CID 55144449
1-(3,4-dichlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62622132
1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
1-(2-bromophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 62828462
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
2-(2,5-difluorophenyl)acetate
CID 6951702
2-(2,5-difluorophenyl)acetamide
CID 21245498
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propan-2-one
CID 161028075
2-(2,5-difluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114964088

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one?
The IUPAC name of 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one (CID 105082505) is 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one is O=C(Cc1ccsc1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one?
The InChIKey is JSZJJXDFHLXLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c14-11-1-2-13(15)10(6-11)7-12(16)5-9-3-4-17-8-9/h1-4,6,8H,5,7H2.
What are the key properties of 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one?
1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one has a molecular weight of 252.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-thiophen-3-ylpropan-2-one is sourced from PubChem (CID 105082505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).