5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one

C10H11F3O2S — CID 115792156

IUPAC5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one
SMILESCOc1ccsc1C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H11F3O2S/c1-15-8-4-6-16-9(8)7(14)3-2-5-10(11,12)13/h4,6H,2-3,5H2,1H3
InChIKeyIPTNHTACVZVKDK-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.67
Rot. Bonds5

About 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one

5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one (PubChem CID 115792156) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one
PubChem CID115792156
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one
SMILESCOc1ccsc1C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H11F3O2S/c1-15-8-4-6-16-9(8)7(14)3-2-5-10(11,12)13/h4,6H,2-3,5H2,1H3
InChIKeyIPTNHTACVZVKDK-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one?
The IUPAC name of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one (CID 115792156) is 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one is COc1ccsc1C(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one?
The InChIKey is IPTNHTACVZVKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c1-15-8-4-6-16-9(8)7(14)3-2-5-10(11,12)13/h4,6H,2-3,5H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one?
5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one has a molecular weight of 252.26 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methoxythiophen-2-yl)pentan-1-one is sourced from PubChem (CID 115792156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).