3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C11H17FO3 — CID 70393504

IUPAC3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOC/C(F)=C/C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H17FO3/c1-4-15-6-7(12)5-8-9(10(13)14)11(8,2)3/h5,8-9H,4,6H2,1-3H3,(H,13,14)/b7-5-
InChIKeyFCHXLXRVMOKDPP-ALCCZGGFSA-N
MW216.25 g/mol
LogP2.23
Rot. Bonds5

About 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 70393504) has the molecular formula C11H17FO3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID70393504
Molecular FormulaC11H17FO3
Molecular Weight216.25 g/mol
Exact Mass216.12
IUPAC Name3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCOC/C(F)=C/C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H17FO3/c1-4-15-6-7(12)5-8-9(10(13)14)11(8,2)3/h5,8-9H,4,6H2,1-3H3,(H,13,14)/b7-5-
InChIKeyFCHXLXRVMOKDPP-ALCCZGGFSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid 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

3-[(E)-2-chloro-2-fluoroethenyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 14770506
3-[(Z)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88738523
3-(2-chloro-2-fluoroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid;hydrochloride
CID 173434847
cis-(1S,3S)-3-[(Z)-but-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 139891472
cis-(1R,3R)-3-(3-ethoxyimino-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 91164593
CID 170844573
CID 170844573
cis-(1S,3S)-3-(2,2-diaminoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 141128564
cis-(1S,3S)-3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 141188505
(1R)-3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 68935699
(1R)-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 67527424
cis-(1R,3S)-3-[(E)-2-fluoro-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 67894218
3-(2-formylhexa-1,3-dienyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 91221155

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 70393504) is 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CCOC/C(F)=C/C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is FCHXLXRVMOKDPP-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H17FO3/c1-4-15-6-7(12)5-8-9(10(13)14)11(8,2)3/h5,8-9H,4,6H2,1-3H3,(H,13,14)/b7-5-.
What are the key properties of 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 216.25 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-ethoxy-2-fluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 70393504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).