(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone

C14H11F3OS — CID 43339470

IUPAC(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)s1
InChIInChI=1S/C14H11F3OS/c1-8-7-12(9(2)19-8)13(18)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3
InChIKeyHJOWMWWGCPHLRG-UHFFFAOYSA-N
MW284.30 g/mol
LogP4.61
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone

(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 43339470) has the molecular formula C14H11F3OS and a molecular weight of 284.30 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID43339470
Molecular FormulaC14H11F3OS
Molecular Weight284.30 g/mol
Exact Mass284.05
IUPAC Name(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)s1
InChIInChI=1S/C14H11F3OS/c1-8-7-12(9(2)19-8)13(18)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3
InChIKeyHJOWMWWGCPHLRG-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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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 43339470) is (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HJOWMWWGCPHLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3OS/c1-8-7-12(9(2)19-8)13(18)10-3-5-11(6-4-10)14(15,16)17/h3-7H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone?
(2,5-dimethylthiophen-3-yl)-[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 (2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 43339470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).