1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one

C13H10F2OS — CID 61077384

IUPAC1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cccc(F)c2F)s1
InChIInChI=1S/C13H10F2OS/c1-2-10(16)12-7-6-11(17-12)8-4-3-5-9(14)13(8)15/h3-7H,2H2,1H3
InChIKeyDLHPVZKLOFCQIO-UHFFFAOYSA-N
MW252.28 g/mol
LogP4.29
Rot. Bonds3

About 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one

1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one (PubChem CID 61077384) has the molecular formula C13H10F2OS and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
PubChem CID61077384
Molecular FormulaC13H10F2OS
Molecular Weight252.28 g/mol
Exact Mass252.04
IUPAC Name1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cccc(F)c2F)s1
InChIInChI=1S/C13H10F2OS/c1-2-10(16)12-7-6-11(17-12)8-4-3-5-9(14)13(8)15/h3-7H,2H2,1H3
InChIKeyDLHPVZKLOFCQIO-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one (CID 61077384) is 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one is CCC(=O)c1ccc(-c2cccc(F)c2F)s1.
What is the InChIKey of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one?
The InChIKey is DLHPVZKLOFCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c1-2-10(16)12-7-6-11(17-12)8-4-3-5-9(14)13(8)15/h3-7H,2H2,1H3.
What are the key properties of 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one?
1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one has a molecular weight of 252.28 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluorophenyl)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 61077384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).