2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone

C12H14FNO2 — CID 116709222

IUPAC2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
SMILESCCOC(C(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C12H14FNO2/c1-2-16-12(8-3-4-8)11(15)9-5-10(13)7-14-6-9/h5-8,12H,2-4H2,1H3
InChIKeyTUNAFDRDZMWVLV-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.22
Rot. Bonds5

About 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone

2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone (PubChem CID 116709222) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
PubChem CID116709222
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
SMILESCCOC(C(=O)c1cncc(F)c1)C1CC1
InChIInChI=1S/C12H14FNO2/c1-2-16-12(8-3-4-8)11(15)9-5-10(13)7-14-6-9/h5-8,12H,2-4H2,1H3
InChIKeyTUNAFDRDZMWVLV-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone 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

2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
CID 116709249
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347374
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
N-(2-chloro-2-cyclopropylethyl)-5-fluoropyridine-3-carboxamide
CID 104786596
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
3-ethyl-1-(5-fluoro-3-pyridinyl)pentan-1-one
CID 105125350

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone (CID 116709222) is 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone is CCOC(C(=O)c1cncc(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone?
The InChIKey is TUNAFDRDZMWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-2-16-12(8-3-4-8)11(15)9-5-10(13)7-14-6-9/h5-8,12H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone?
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone has a molecular weight of 223.25 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone is sourced from PubChem (CID 116709222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).