2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone

C15H13F3O3S — CID 25023813

IUPAC2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone
SMILESCOc1ccc(COCc2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C15H13F3O3S/c1-20-11-4-2-10(3-5-11)8-21-9-12-6-7-13(22-12)14(19)15(16,17)18/h2-7H,8-9H2,1H3
InChIKeyMOFRXFLSGOVYKC-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.22
Rot. Bonds6

About 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone (PubChem CID 25023813) has the molecular formula C15H13F3O3S and a molecular weight of 330.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone
PubChem CID25023813
Molecular FormulaC15H13F3O3S
Molecular Weight330.33 g/mol
Exact Mass330.05
IUPAC Name2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone
SMILESCOc1ccc(COCc2ccc(C(=O)C(F)(F)F)s2)cc1
InChIInChI=1S/C15H13F3O3S/c1-20-11-4-2-10(3-5-11)8-21-9-12-6-7-13(22-12)14(19)15(16,17)18/h2-7H,8-9H2,1H3
InChIKeyMOFRXFLSGOVYKC-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone (CID 25023813) is 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone is COc1ccc(COCc2ccc(C(=O)C(F)(F)F)s2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone?
The InChIKey is MOFRXFLSGOVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O3S/c1-20-11-4-2-10(3-5-11)8-21-9-12-6-7-13(22-12)14(19)15(16,17)18/h2-7H,8-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone has a molecular weight of 330.33 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[(4-methoxyphenyl)methoxymethyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 25023813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).