ethyl 2,2-difluoro-2-naphthalen-1-ylacetate

C14H12F2O2 — CID 12585541

IUPACethyl 2,2-difluoro-2-naphthalen-1-ylacetate
SMILESCCOC(=O)C(F)(F)c1cccc2ccccc12
InChIInChI=1S/C14H12F2O2/c1-2-18-13(17)14(15,16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyUQNFARFISCQQSS-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.49
Rot. Bonds3

About ethyl 2,2-difluoro-2-naphthalen-1-ylacetate

ethyl 2,2-difluoro-2-naphthalen-1-ylacetate (PubChem CID 12585541) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-naphthalen-1-ylacetate
PubChem CID12585541
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Nameethyl 2,2-difluoro-2-naphthalen-1-ylacetate
SMILESCCOC(=O)C(F)(F)c1cccc2ccccc12
InChIInChI=1S/C14H12F2O2/c1-2-18-13(17)14(15,16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3
InChIKeyUQNFARFISCQQSS-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-naphthalen-1-ylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-naphthalen-1-ylacetate (CID 12585541) is ethyl 2,2-difluoro-2-naphthalen-1-ylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-naphthalen-1-ylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-naphthalen-1-ylacetate is CCOC(=O)C(F)(F)c1cccc2ccccc12.
What is the InChIKey of ethyl 2,2-difluoro-2-naphthalen-1-ylacetate?
The InChIKey is UQNFARFISCQQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c1-2-18-13(17)14(15,16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-naphthalen-1-ylacetate?
ethyl 2,2-difluoro-2-naphthalen-1-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-1-ylacetate is sourced from PubChem (CID 12585541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).