ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate

C16H16F2O3 — CID 117048556

IUPACethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccco1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2O3/c1-3-20-15(19)16(2,10-12-5-4-8-21-12)13-9-11(17)6-7-14(13)18/h4-9H,3,10H2,1-2H3
InChIKeyJOAMQRBPSPITHX-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.62
Rot. Bonds5

About ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate

ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate (PubChem CID 117048556) has the molecular formula C16H16F2O3 and a molecular weight of 294.30 g/mol. Its IUPAC name is ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate
PubChem CID117048556
Molecular FormulaC16H16F2O3
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Nameethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccco1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2O3/c1-3-20-15(19)16(2,10-12-5-4-8-21-12)13-9-11(17)6-7-14(13)18/h4-9H,3,10H2,1-2H3
InChIKeyJOAMQRBPSPITHX-UHFFFAOYSA-N
XLogP3.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate 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

diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
CID 117048691
diethyl 2-(furan-2-ylmethyl)-2-(2-methylpropyl)propanedioate
CID 103972769
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
ethyl 2-(cyclopentylamino)-2-(2,5-difluorophenyl)propanoate
CID 60997342
ethyl 4-cyano-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049641
diethyl 2-(5,5-dimethylhexa-2,3-dienyl)-2-(furan-2-ylmethyl)propanedioate
CID 135072956
2-(2,4-difluorophenyl)-3-(furan-2-yl)-2-methylpropanenitrile
CID 117048609
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate (CID 117048556) is ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate is CCOC(=O)C(C)(Cc1ccco1)c1cc(F)ccc1F.
What is the InChIKey of ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate?
The InChIKey is JOAMQRBPSPITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O3/c1-3-20-15(19)16(2,10-12-5-4-8-21-12)13-9-11(17)6-7-14(13)18/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate?
ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate has a molecular weight of 294.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate is sourced from PubChem (CID 117048556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).