1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C10H10F4O2S — CID 43800965

IUPAC1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCc1ccc(C(=O)COCC(F)(F)C(F)F)s1
InChIInChI=1S/C10H10F4O2S/c1-6-2-3-8(17-6)7(15)4-16-5-10(13,14)9(11)12/h2-3,9H,4-5H2,1H3
InChIKeyBNWQKRJMGBSZCQ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.16
Rot. Bonds6

About 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 43800965) has the molecular formula C10H10F4O2S and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID43800965
Molecular FormulaC10H10F4O2S
Molecular Weight270.25 g/mol
Exact Mass270.03
IUPAC Name1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCc1ccc(C(=O)COCC(F)(F)C(F)F)s1
InChIInChI=1S/C10H10F4O2S/c1-6-2-3-8(17-6)7(15)4-16-5-10(13,14)9(11)12/h2-3,9H,4-5H2,1H3
InChIKeyBNWQKRJMGBSZCQ-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone 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-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 43800965) is 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is Cc1ccc(C(=O)COCC(F)(F)C(F)F)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is BNWQKRJMGBSZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O2S/c1-6-2-3-8(17-6)7(15)4-16-5-10(13,14)9(11)12/h2-3,9H,4-5H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 270.25 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 43800965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).