2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone

C14H15FN4O2 — CID 99877273

IUPAC2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CC[C@H](n2ccnn2)C1
InChIInChI=1S/C14H15FN4O2/c15-12-3-1-2-4-13(12)21-10-14(20)18-7-5-11(9-18)19-8-6-16-17-19/h1-4,6,8,11H,5,7,9-10H2/t11-/m0/s1
InChIKeyGVVXUAJWKBMLJQ-NSHDSACASA-N
MW290.30 g/mol
LogP1.27
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone

2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone (PubChem CID 99877273) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
PubChem CID99877273
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccccc1F)N1CC[C@H](n2ccnn2)C1
InChIInChI=1S/C14H15FN4O2/c15-12-3-1-2-4-13(12)21-10-14(20)18-7-5-11(9-18)19-8-6-16-17-19/h1-4,6,8,11H,5,7,9-10H2/t11-/m0/s1
InChIKeyGVVXUAJWKBMLJQ-NSHDSACASA-N
XLogP1.27
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]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 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone (CID 99877273) is 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone is O=C(COc1ccccc1F)N1CC[C@H](n2ccnn2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is GVVXUAJWKBMLJQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H15FN4O2/c15-12-3-1-2-4-13(12)21-10-14(20)18-7-5-11(9-18)19-8-6-16-17-19/h1-4,6,8,11H,5,7,9-10H2/t11-/m0/s1.
What are the key properties of 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 290.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 99877273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).