(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone

C13H16FNO2 — CID 82551437

IUPAC(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESCCOc1ccc(F)cc1C(=O)C1CCCN1
InChIInChI=1S/C13H16FNO2/c1-2-17-12-6-5-9(14)8-10(12)13(16)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3
InChIKeyLQACMPDTNYINTC-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.16
Rot. Bonds4

About (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone

(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone (PubChem CID 82551437) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
PubChem CID82551437
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone
SMILESCCOc1ccc(F)cc1C(=O)C1CCCN1
InChIInChI=1S/C13H16FNO2/c1-2-17-12-6-5-9(14)8-10(12)13(16)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3
InChIKeyLQACMPDTNYINTC-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82552560
(2-chloro-5-fluorophenyl)-pyrrolidin-2-ylmethanone
CID 105396376
(2-fluoro-4,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64867881
(5-iodo-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 64866160
(4-methoxy-2,3-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82290167
(2-fluorophenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 89281976
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82553125

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone (CID 82551437) is (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone is CCOc1ccc(F)cc1C(=O)C1CCCN1.
What is the InChIKey of (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
The InChIKey is LQACMPDTNYINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-2-17-12-6-5-9(14)8-10(12)13(16)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3.
What are the key properties of (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone?
(2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone has a molecular weight of 237.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-fluorophenyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 82551437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).