5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene

C13H13F3OS — CID 70940777

IUPAC5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene
SMILESCOCC1=CC(c2ccccc2)C(C(F)(F)F)S1
InChIInChI=1S/C13H13F3OS/c1-17-8-10-7-11(9-5-3-2-4-6-9)12(18-10)13(14,15)16/h2-7,11-12H,8H2,1H3
InChIKeyMBSWENPDCBVKDD-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.98
Rot. Bonds3

About 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene

5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene (PubChem CID 70940777) has the molecular formula C13H13F3OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene
PubChem CID70940777
Molecular FormulaC13H13F3OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene
SMILESCOCC1=CC(c2ccccc2)C(C(F)(F)F)S1
InChIInChI=1S/C13H13F3OS/c1-17-8-10-7-11(9-5-3-2-4-6-9)12(18-10)13(14,15)16/h2-7,11-12H,8H2,1H3
InChIKeyMBSWENPDCBVKDD-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.98
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)-2,3-dihydrothiophene?
The IUPAC name of 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene (CID 70940777) is 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene is COCC1=CC(c2ccccc2)C(C(F)(F)F)S1.
What is the InChIKey of 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene?
The InChIKey is MBSWENPDCBVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3OS/c1-17-8-10-7-11(9-5-3-2-4-6-9)12(18-10)13(14,15)16/h2-7,11-12H,8H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene?
5-(methoxymethyl)-3-phenyl-2-(trifluoromethyl)-2,3-dihydrothiophene has a molecular weight of 274.31 g/mol, XLogP of 3.98, 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)-2,3-dihydrothiophene is sourced from PubChem (CID 70940777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).