(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C14H11F3OS — CID 102752670

IUPAC(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cscc1C
InChIInChI=1S/C14H11F3OS/c1-8-5-10(14(15,16)17)3-4-11(8)13(18)12-7-19-6-9(12)2/h3-7H,1-2H3
InChIKeyMDQQGRFOQIGTEU-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.61
Rot. Bonds2

About (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102752670) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102752670
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cscc1C
InChIInChI=1S/C14H11F3OS/c1-8-5-10(14(15,16)17)3-4-11(8)13(18)12-7-19-6-9(12)2/h3-7H,1-2H3
InChIKeyMDQQGRFOQIGTEU-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(2-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
4,4,4-trifluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]butan-1-one
CID 102752652
(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756821
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102752670) is (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1cscc1C.
What is the InChIKey of (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is MDQQGRFOQIGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-8-5-10(14(15,16)17)3-4-11(8)13(18)12-7-19-6-9(12)2/h3-7H,1-2H3.
What are the key properties of (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 284.30 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102752670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).