1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone

C13H15FO3 — CID 71488457

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone
SMILESCOCOC(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C13H15FO3/c1-16-8-17-13(12(15)9-6-7-9)10-4-2-3-5-11(10)14/h2-5,9,13H,6-8H2,1H3
InChIKeyCLWJQQGJBBLMFV-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.47
Rot. Bonds6

About 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone (PubChem CID 71488457) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone
PubChem CID71488457
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone
SMILESCOCOC(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C13H15FO3/c1-16-8-17-13(12(15)9-6-7-9)10-4-2-3-5-11(10)14/h2-5,9,13H,6-8H2,1H3
InChIKeyCLWJQQGJBBLMFV-UHFFFAOYSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)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

[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] 3-methylbutanoate
CID 158510765
[1-(2-fluorophenyl)-2-(methoxymethoxy)butyl]carbamic acid
CID 174774363
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-(2-bicyclo[2.2.1]heptanyl)carbamate
CID 123526733
4-[[1-(2-fluorophenyl)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964080
1-cyclopropyl-2-(2-fluorophenyl)-2-[(3E)-3-(2-methoxyethylidene)-4-sulfanylpiperidin-1-yl]ethanone
CID 58000414
1-cyclopropyl-2-(2-fluorophenyl)-2-(5-hydroxythiolan-2-yl)ethanone
CID 140994266
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
1-cyclopropyl-2-(2-fluorophenyl)-2-[4-(sulfanylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 18703832
4-[[[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98309633
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
1-cyclopropyl-2-(2-fluorophenyl)-2-(2-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 68895421

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone (CID 71488457) is 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone is COCOC(C(=O)C1CC1)c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone?
The InChIKey is CLWJQQGJBBLMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-16-8-17-13(12(15)9-6-7-9)10-4-2-3-5-11(10)14/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone has a molecular weight of 238.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-(methoxymethoxy)ethanone is sourced from PubChem (CID 71488457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).