1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one

C14H12F2OS — CID 114972180

IUPAC1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2ccsc2)c(F)cc1F
InChIInChI=1S/C14H12F2OS/c1-9-6-11(13(16)7-12(9)15)14(17)3-2-10-4-5-18-8-10/h4-8H,2-3H2,1H3
InChIKeyIACDILRIRPIOER-UHFFFAOYSA-N
MW266.31 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one

1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 114972180) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
PubChem CID114972180
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one
SMILESCc1cc(C(=O)CCc2ccsc2)c(F)cc1F
InChIInChI=1S/C14H12F2OS/c1-9-6-11(13(16)7-12(9)15)14(17)3-2-10-4-5-18-8-10/h4-8H,2-3H2,1H3
InChIKeyIACDILRIRPIOER-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-(3-bromo-2-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 107957142
1-(2,4-difluoro-5-methylphenyl)-2-thiophen-3-ylethanol
CID 113396557
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
1-(4-bromo-2-chlorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114972136
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-one
CID 114885453
1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
2-thiophen-3-ylethyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297955
1-(2,4-difluoro-5-methylphenyl)-2-methylsulfonylethanone
CID 79731711

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one (CID 114972180) is 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one is Cc1cc(C(=O)CCc2ccsc2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is IACDILRIRPIOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-9-6-11(13(16)7-12(9)15)14(17)3-2-10-4-5-18-8-10/h4-8H,2-3H2,1H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one?
1-(2,4-difluoro-5-methylphenyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 266.31 g/mol, XLogP of 4.15, 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)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 114972180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).