1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one

C11H13F3O2S — CID 103146765

IUPAC1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one
SMILESO=C(CCOCC(F)(F)F)CCc1cccs1
InChIInChI=1S/C11H13F3O2S/c12-11(13,14)8-16-6-5-9(15)3-4-10-2-1-7-17-10/h1-2,7H,3-6,8H2
InChIKeyJZJKZGJAZUMQGC-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.22
Rot. Bonds7

About 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one

1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one (PubChem CID 103146765) has the molecular formula C11H13F3O2S and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one.

Molecular Properties

Compound Name1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one
PubChem CID103146765
Molecular FormulaC11H13F3O2S
Molecular Weight266.28 g/mol
Exact Mass266.06
IUPAC Name1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one
SMILESO=C(CCOCC(F)(F)F)CCc1cccs1
InChIInChI=1S/C11H13F3O2S/c12-11(13,14)8-16-6-5-9(15)3-4-10-2-1-7-17-10/h1-2,7H,3-6,8H2
InChIKeyJZJKZGJAZUMQGC-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one?
The IUPAC name of 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one (CID 103146765) is 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one.
What is the SMILES notation for 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one?
The canonical SMILES for 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one is O=C(CCOCC(F)(F)F)CCc1cccs1.
What is the InChIKey of 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one?
The InChIKey is JZJKZGJAZUMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2S/c12-11(13,14)8-16-6-5-9(15)3-4-10-2-1-7-17-10/h1-2,7H,3-6,8H2.
What are the key properties of 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one?
1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one has a molecular weight of 266.28 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-5-(2,2,2-trifluoroethoxy)pentan-3-one is sourced from PubChem (CID 103146765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).