1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone

C9H7F3O3S — CID 24723449

IUPAC1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C2OCCO2)s1)C(F)(F)F
InChIInChI=1S/C9H7F3O3S/c10-9(11,12)7(13)5-1-2-6(16-5)8-14-3-4-15-8/h1-2,8H,3-4H2
InChIKeyJLAAXBQKIGBHBL-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.54
Rot. Bonds2

About 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone

1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone (PubChem CID 24723449) has the molecular formula C9H7F3O3S and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone
PubChem CID24723449
Molecular FormulaC9H7F3O3S
Molecular Weight252.21 g/mol
Exact Mass252.01
IUPAC Name1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(C2OCCO2)s1)C(F)(F)F
InChIInChI=1S/C9H7F3O3S/c10-9(11,12)7(13)5-1-2-6(16-5)8-14-3-4-15-8/h1-2,8H,3-4H2
InChIKeyJLAAXBQKIGBHBL-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone (CID 24723449) is 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone is O=C(c1ccc(C2OCCO2)s1)C(F)(F)F.
What is the InChIKey of 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is JLAAXBQKIGBHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3S/c10-9(11,12)7(13)5-1-2-6(16-5)8-14-3-4-15-8/h1-2,8H,3-4H2.
What are the key properties of 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone?
1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 252.21 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 24723449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).