1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone

C15H14F2OS — CID 114967794

IUPAC1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(C)c(F)cc2F)s1
InChIInChI=1S/C15H14F2OS/c1-3-10-4-5-11(19-10)7-15(18)12-6-9(2)13(16)8-14(12)17/h4-6,8H,3,7H2,1-2H3
InChIKeyBAKNHEHKXINIFU-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.32
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone

1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 114967794) has the molecular formula C15H14F2OS and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID114967794
Molecular FormulaC15H14F2OS
Molecular Weight280.34 g/mol
Exact Mass280.07
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(C)c(F)cc2F)s1
InChIInChI=1S/C15H14F2OS/c1-3-10-4-5-11(19-10)7-15(18)12-6-9(2)13(16)8-14(12)17/h4-6,8H,3,7H2,1-2H3
InChIKeyBAKNHEHKXINIFU-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(2-fluorophenyl)ethanone
CID 55181131
1-(2,4-difluoro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 114966095
ethyl 3-(2,4-difluoro-5-methylphenyl)-3-oxopropanoate
CID 156848320
1-(4-amino-3-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116547328
1-(2,4-difluoro-5-methylphenyl)-2-ethoxyethanone
CID 115783021
1-(4-bromo-3-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 114967726
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105089353
2-(5-ethylthiophen-2-yl)-1-(5-methylfuran-2-yl)ethanone
CID 114967718
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711
5-[(5-ethylthiophen-2-yl)methylamino]-2,4-difluorobenzoic acid
CID 62346258
N-[(5-ethylthiophen-2-yl)methyl]-2-fluoro-4-methylbenzamide
CID 103731815
1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 130817073

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone (CID 114967794) is 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)c2cc(C)c(F)cc2F)s1.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is BAKNHEHKXINIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2OS/c1-3-10-4-5-11(19-10)7-15(18)12-6-9(2)13(16)8-14(12)17/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 280.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 114967794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).