ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate

C8H13FO3 — CID 79367296

IUPACethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
SMILESCCOC(=O)C(F)C(O)C1CC1
InChIInChI=1S/C8H13FO3/c1-2-12-8(11)6(9)7(10)5-3-4-5/h5-7,10H,2-4H2,1H3
InChIKeyQWAQTEBTJGRXQH-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.66
Rot. Bonds4

About ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate

ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate (PubChem CID 79367296) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
PubChem CID79367296
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Nameethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
SMILESCCOC(=O)C(F)C(O)C1CC1
InChIInChI=1S/C8H13FO3/c1-2-12-8(11)6(9)7(10)5-3-4-5/h5-7,10H,2-4H2,1H3
InChIKeyQWAQTEBTJGRXQH-UHFFFAOYSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate 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

ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 2-fluoro-3-hydroxy-3-(3-methylcyclohexyl)propanoate
CID 79366383
diethyl 2,3-difluorobutanedioate
CID 12868425
ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
CID 62398594
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride
CID 134163152
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
ethyl (2S)-2-fluoro-2-[(3S)-pyrrolidin-3-yl]acetate
CID 125086128
ethyl 4-(difluoromethyl)cyclohexane-1-carboxylate
CID 59569173
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate?
The IUPAC name of ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate (CID 79367296) is ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate is CCOC(=O)C(F)C(O)C1CC1.
What is the InChIKey of ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate?
The InChIKey is QWAQTEBTJGRXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-2-12-8(11)6(9)7(10)5-3-4-5/h5-7,10H,2-4H2,1H3.
What are the key properties of ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate?
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate has a molecular weight of 176.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate is sourced from PubChem (CID 79367296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).