propyl 4-(difluoromethoxy)thiophene-2-carboxylate

C9H10F2O3S — CID 18434560

IUPACpropyl 4-(difluoromethoxy)thiophene-2-carboxylate
SMILESCCCOC(=O)c1cc(OC(F)F)cs1
InChIInChI=1S/C9H10F2O3S/c1-2-3-13-8(12)7-4-6(5-15-7)14-9(10)11/h4-5,9H,2-3H2,1H3
InChIKeyCZXMQSSIUVBCHJ-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.92
Rot. Bonds5

About propyl 4-(difluoromethoxy)thiophene-2-carboxylate

propyl 4-(difluoromethoxy)thiophene-2-carboxylate (PubChem CID 18434560) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is propyl 4-(difluoromethoxy)thiophene-2-carboxylate.

Molecular Properties

Compound Namepropyl 4-(difluoromethoxy)thiophene-2-carboxylate
PubChem CID18434560
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Namepropyl 4-(difluoromethoxy)thiophene-2-carboxylate
SMILESCCCOC(=O)c1cc(OC(F)F)cs1
InChIInChI=1S/C9H10F2O3S/c1-2-3-13-8(12)7-4-6(5-15-7)14-9(10)11/h4-5,9H,2-3H2,1H3
InChIKeyCZXMQSSIUVBCHJ-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propyl 4-(difluoromethoxy)thiophene-2-carboxylate 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 propyl 4-(difluoromethoxy)thiophene-2-carboxylate?
The IUPAC name of propyl 4-(difluoromethoxy)thiophene-2-carboxylate (CID 18434560) is propyl 4-(difluoromethoxy)thiophene-2-carboxylate.
What is the SMILES notation for propyl 4-(difluoromethoxy)thiophene-2-carboxylate?
The canonical SMILES for propyl 4-(difluoromethoxy)thiophene-2-carboxylate is CCCOC(=O)c1cc(OC(F)F)cs1.
What is the InChIKey of propyl 4-(difluoromethoxy)thiophene-2-carboxylate?
The InChIKey is CZXMQSSIUVBCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-2-3-13-8(12)7-4-6(5-15-7)14-9(10)11/h4-5,9H,2-3H2,1H3.
What are the key properties of propyl 4-(difluoromethoxy)thiophene-2-carboxylate?
propyl 4-(difluoromethoxy)thiophene-2-carboxylate has a molecular weight of 236.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(difluoromethoxy)thiophene-2-carboxylate is sourced from PubChem (CID 18434560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).