2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

C18H18FNO4S — CID 78760973

IUPAC2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCCOc1ccccc1F)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C18H18FNO4S/c19-13-5-1-2-7-15(13)23-10-11-24-18(22)14-6-3-9-20(14)17(21)16-8-4-12-25-16/h1-2,4-5,7-8,12,14H,3,6,9-11H2
InChIKeyXOQYLICEXLZDFN-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.11
Rot. Bonds6

About 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 78760973) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID78760973
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCCOc1ccccc1F)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C18H18FNO4S/c19-13-5-1-2-7-15(13)23-10-11-24-18(22)14-6-3-9-20(14)17(21)16-8-4-12-25-16/h1-2,4-5,7-8,12,14H,3,6,9-11H2
InChIKeyXOQYLICEXLZDFN-UHFFFAOYSA-N
XLogP3.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 9491805
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 7532410
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 11907554
[2-(4-chlorophenyl)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2368756
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 4073171
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 51916858
[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110411541
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
(2-morpholin-4-yl-2-oxoethyl) 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55315660
propyl 1-(2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91711961
2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 71988037

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (CID 78760973) is 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is O=C(OCCOc1ccccc1F)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is XOQYLICEXLZDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-13-5-1-2-7-15(13)23-10-11-24-18(22)14-6-3-9-20(14)17(21)16-8-4-12-25-16/h1-2,4-5,7-8,12,14H,3,6,9-11H2.
What are the key properties of 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 78760973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).