2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene

C13H11F3OS — CID 59434164

IUPAC2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene
SMILESCOCc1sc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C13H11F3OS/c1-17-8-11-10(9-5-3-2-4-6-9)7-12(18-11)13(14,15)16/h2-7H,8H2,1H3
InChIKeyDHMNQHNXESUEKW-UHFFFAOYSA-N
MW272.29 g/mol
LogP4.58
Rot. Bonds3

About 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene

2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene (PubChem CID 59434164) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene
PubChem CID59434164
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene
SMILESCOCc1sc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C13H11F3OS/c1-17-8-11-10(9-5-3-2-4-6-9)7-12(18-11)13(14,15)16/h2-7H,8H2,1H3
InChIKeyDHMNQHNXESUEKW-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene (CID 59434164) is 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene is COCc1sc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene?
The InChIKey is DHMNQHNXESUEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c1-17-8-11-10(9-5-3-2-4-6-9)7-12(18-11)13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene?
2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene has a molecular weight of 272.29 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-phenyl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 59434164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).