ethyl 2,2-difluoro-2-naphthalen-2-ylacetate

C14H12F2O2 — CID 12585543

IUPACethyl 2,2-difluoro-2-naphthalen-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C14H12F2O2/c1-2-18-13(17)14(15,16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyLEYZSOGWZPUAAP-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.49
Rot. Bonds3

About ethyl 2,2-difluoro-2-naphthalen-2-ylacetate

ethyl 2,2-difluoro-2-naphthalen-2-ylacetate (PubChem CID 12585543) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-naphthalen-2-ylacetate
PubChem CID12585543
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Nameethyl 2,2-difluoro-2-naphthalen-2-ylacetate
SMILESCCOC(=O)C(F)(F)c1ccc2ccccc2c1
InChIInChI=1S/C14H12F2O2/c1-2-18-13(17)14(15,16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyLEYZSOGWZPUAAP-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2,2-difluoro-2-naphthalen-2-ylacetate 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 (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxobutan-2-yl)sulfanyl-2-naphthalen-2-ylbutanoate
CID 70222692
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate
CID 177468508
ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
CID 101110607
ethyl 2-formyl-2-naphthalen-2-ylpent-4-enoate
CID 122202564
ethyl 2-(4-ethylsulfanylphenyl)-2,2-difluoroacetate
CID 125472129
ethyl 2,2-difluoro-2-(3-formylphenyl)acetate
CID 118646999

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-naphthalen-2-ylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-naphthalen-2-ylacetate (CID 12585543) is ethyl 2,2-difluoro-2-naphthalen-2-ylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-naphthalen-2-ylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-naphthalen-2-ylacetate is CCOC(=O)C(F)(F)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2,2-difluoro-2-naphthalen-2-ylacetate?
The InChIKey is LEYZSOGWZPUAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c1-2-18-13(17)14(15,16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-naphthalen-2-ylacetate?
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate has a molecular weight of 250.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-naphthalen-2-ylacetate is sourced from PubChem (CID 12585543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).