2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone

C12H7F3OS — CID 10538975

IUPAC2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone
SMILESO=C(c1ccc(F)cc1)C(F)(F)c1cccs1
InChIInChI=1S/C12H7F3OS/c13-9-5-3-8(4-6-9)11(16)12(14,15)10-2-1-7-17-10/h1-7H
InChIKeyKDJPDSORGBZLTF-UHFFFAOYSA-N
MW256.25 g/mol
LogP3.86
Rot. Bonds3

About 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone

2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone (PubChem CID 10538975) has the molecular formula C12H7F3OS and a molecular weight of 256.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone
PubChem CID10538975
Molecular FormulaC12H7F3OS
Molecular Weight256.25 g/mol
Exact Mass256.02
IUPAC Name2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone
SMILESO=C(c1ccc(F)cc1)C(F)(F)c1cccs1
InChIInChI=1S/C12H7F3OS/c13-9-5-3-8(4-6-9)11(16)12(14,15)10-2-1-7-17-10/h1-7H
InChIKeyKDJPDSORGBZLTF-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone?
The IUPAC name of 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone (CID 10538975) is 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone is O=C(c1ccc(F)cc1)C(F)(F)c1cccs1.
What is the InChIKey of 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone?
The InChIKey is KDJPDSORGBZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3OS/c13-9-5-3-8(4-6-9)11(16)12(14,15)10-2-1-7-17-10/h1-7H.
What are the key properties of 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone?
2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone has a molecular weight of 256.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 10538975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).