methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate

C11H12FNO3S — CID 71866597

IUPACmethyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H12FNO3S/c1-16-10(15)11(12)4-5-13(7-11)9(14)8-3-2-6-17-8/h2-3,6H,4-5,7H2,1H3
InChIKeyGKSSEHCGKZHEPN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.48
Rot. Bonds2

About methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate

methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 71866597) has the molecular formula C11H12FNO3S and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate
PubChem CID71866597
Molecular FormulaC11H12FNO3S
Molecular Weight257.29 g/mol
Exact Mass257.05
IUPAC Namemethyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H12FNO3S/c1-16-10(15)11(12)4-5-13(7-11)9(14)8-3-2-6-17-8/h2-3,6H,4-5,7H2,1H3
InChIKeyGKSSEHCGKZHEPN-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

CID 614397
CID 614397
CID 728491
CID 728491
CID 825289
CID 825289
CID 2904303
CID 2904303
CID 72856093
CID 72856093
CID 72888623
CID 72888623
CID 760311
CID 760311
CID 52195149
CID 52195149
CID 61008719
CID 61008719
CID 49790736
CID 49790736
CID 86264222
CID 86264222
CID 110875854
CID 110875854

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate (CID 71866597) is methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1(F)CCN(C(=O)c2cccs2)C1.
What is the InChIKey of methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is GKSSEHCGKZHEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3S/c1-16-10(15)11(12)4-5-13(7-11)9(14)8-3-2-6-17-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate?
methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 71866597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).