ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate

C13H14F2O3 — CID 132821328

IUPACethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CC1Cc2ccccc2O1
InChIInChI=1S/C13H14F2O3/c1-2-17-12(16)13(14,15)8-10-7-9-5-3-4-6-11(9)18-10/h3-6,10H,2,7-8H2,1H3
InChIKeyLQDMDQWMCGTSIO-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.58
Rot. Bonds4

About ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate

ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate (PubChem CID 132821328) has the molecular formula C13H14F2O3 and a molecular weight of 256.25 g/mol. Its IUPAC name is ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
PubChem CID132821328
Molecular FormulaC13H14F2O3
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Nameethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CC1Cc2ccccc2O1
InChIInChI=1S/C13H14F2O3/c1-2-17-12(16)13(14,15)8-10-7-9-5-3-4-6-11(9)18-10/h3-6,10H,2,7-8H2,1H3
InChIKeyLQDMDQWMCGTSIO-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate 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-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
CID 106506404
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanoic acid
CID 106488473
ethyl 3-(3,4-dihydro-2H-chromen-3-yl)-2,2-difluoro-3-oxopropanoate
CID 65403837
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethylpentan-2-ol
CID 66365997
2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 54896354
(2R)-2-(2,3-dihydro-1-benzofuran-2-ylmethoxy)propanoic acid
CID 104875432
ethyl 3-[methyl-[(2R,3R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 167777680
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
ethyl 4-[N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylcarbamimidoyl]piperazine-1-carboxylate
CID 111163943

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate (CID 132821328) is ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CC1Cc2ccccc2O1.
What is the InChIKey of ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate?
The InChIKey is LQDMDQWMCGTSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O3/c1-2-17-12(16)13(14,15)8-10-7-9-5-3-4-6-11(9)18-10/h3-6,10H,2,7-8H2,1H3.
What are the key properties of ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate?
ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate has a molecular weight of 256.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dihydro-1-benzofuran-2-yl)-2,2-difluoropropanoate is sourced from PubChem (CID 132821328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).