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

C13H11F3OS — CID 2781496

IUPAC5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene
SMILESCOCc1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C13H11F3OS/c1-17-8-10-7-11(9-5-3-2-4-6-9)12(18-10)13(14,15)16/h2-7H,8H2,1H3
InChIKeySLAVECXLTZKNGP-UHFFFAOYSA-N
MW272.29 g/mol
LogP4.58
Rot. Bonds3

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

5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene (PubChem CID 2781496) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene
PubChem CID2781496
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene
SMILESCOCc1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C13H11F3OS/c1-17-8-10-7-11(9-5-3-2-4-6-9)12(18-10)13(14,15)16/h2-7H,8H2,1H3
InChIKeySLAVECXLTZKNGP-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 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene (CID 2781496) is 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene is COCc1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene?
The InChIKey is SLAVECXLTZKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c1-17-8-10-7-11(9-5-3-2-4-6-9)12(18-10)13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene?
5-(methoxymethyl)-3-phenyl-2-(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 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 2781496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).