(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone

C13H9F3OS — CID 65101484

IUPAC(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)s1
InChIInChI=1S/C13H9F3OS/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5H,1-2H3
InChIKeyMFYDHRJBWQECDM-UHFFFAOYSA-N
MW270.27 g/mol
LogP4.01
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone

(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 65101484) has the molecular formula C13H9F3OS and a molecular weight of 270.27 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID65101484
Molecular FormulaC13H9F3OS
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)s1
InChIInChI=1S/C13H9F3OS/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5H,1-2H3
InChIKeyMFYDHRJBWQECDM-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone (CID 65101484) is (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone is Cc1cc(C(=O)c2c(F)cc(F)cc2F)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is MFYDHRJBWQECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3OS/c1-6-3-9(7(2)18-6)13(17)12-10(15)4-8(14)5-11(12)16/h3-5H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone?
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 270.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 65101484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).