ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate

C16H12F2O3 — CID 177468508

IUPACethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H12F2O3/c1-2-20-15(19)16(17,18)10-7-8-14-12(9-10)11-5-3-4-6-13(11)21-14/h3-9H,2H2,1H3
InChIKeyHLOWISHAVPWBBZ-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.24
Rot. Bonds3

About ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate

ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate (PubChem CID 177468508) has the molecular formula C16H12F2O3 and a molecular weight of 290.27 g/mol. Its IUPAC name is ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate
PubChem CID177468508
Molecular FormulaC16H12F2O3
Molecular Weight290.27 g/mol
Exact Mass290.08
IUPAC Nameethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H12F2O3/c1-2-20-15(19)16(17,18)10-7-8-14-12(9-10)11-5-3-4-6-13(11)21-14/h3-9H,2H2,1H3
InChIKeyHLOWISHAVPWBBZ-UHFFFAOYSA-N
XLogP4.24
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-dibenzofuran-2-yl-2-methylpropanedioate
CID 163791926
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2-cyano-2-(dibenzofuran-2-yldiazenyl)propanoate
CID 12943686
2-dibenzofuran-2-yl-2-hydroxypropanoic acid
CID 163411383
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
ethyl 2,2-difluoro-2-(3-formylphenyl)acetate
CID 118646999
ethyl 2,2-difluoro-2-(3-pyrimidin-2-ylphenyl)acetate
CID 162398710
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
3-dibenzofuran-2-yl-3-methylbutan-1-ol
CID 79838391
ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate
CID 118647066
N-dibenzofuran-2-yl-2,2,2-trifluoroacetamide
CID 5196274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate?
The IUPAC name of ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate (CID 177468508) is ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate?
The InChIKey is HLOWISHAVPWBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O3/c1-2-20-15(19)16(17,18)10-7-8-14-12(9-10)11-5-3-4-6-13(11)21-14/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate?
ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate has a molecular weight of 290.27 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-dibenzofuran-2-yl-2,2-difluoroacetate is sourced from PubChem (CID 177468508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).