ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate

C14H11ClF2O3 — CID 66452638

IUPACethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H11ClF2O3/c1-2-19-13(18)14(16,17)20-12-8-7-11(15)9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKeyMBCPEZVKBVSPJH-UHFFFAOYSA-N
MW300.69 g/mol
LogP4.03
Rot. Bonds4

About ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate

ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate (PubChem CID 66452638) has the molecular formula C14H11ClF2O3 and a molecular weight of 300.69 g/mol. Its IUPAC name is ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate
PubChem CID66452638
Molecular FormulaC14H11ClF2O3
Molecular Weight300.69 g/mol
Exact Mass300.04
IUPAC Nameethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C14H11ClF2O3/c1-2-19-13(18)14(16,17)20-12-8-7-11(15)9-5-3-4-6-10(9)12/h3-8H,2H2,1H3
InChIKeyMBCPEZVKBVSPJH-UHFFFAOYSA-N
XLogP4.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanoate
CID 58244182
ethyl 2,2-difluoro-2-(2-propan-2-ylphenoxy)acetate
CID 66452195
ethyl 2-(2-chloro-4-nitrophenoxy)-2,2-difluoroacetate
CID 66453060
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
2-(4-chloronaphthalen-1-yl)oxy-2-methylpropanehydrazide;hydrochloride
CID 67024400
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
ethyl 2,2-difluoro-2-(2-fluoro-4-formylphenoxy)acetate
CID 107685215
1-chloro-4-(2-ethoxyethoxy)naphthalene
CID 112769647
ethyl 2-(5-bromo-2-fluorophenoxy)-2,2-difluoroacetate
CID 114671586
ethyl 2-(3-chloro-2-methoxyphenyl)-2,2-difluoroacetate
CID 166132530
ethyl 2-(4-bromo-2-cyanophenoxy)-2,2-difluoroacetate
CID 83146122
ethyl 2,2-difluoro-2-[4-(hydroxymethyl)phenoxy]acetate
CID 66453718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate (CID 66452638) is ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate is CCOC(=O)C(F)(F)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate?
The InChIKey is MBCPEZVKBVSPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O3/c1-2-19-13(18)14(16,17)20-12-8-7-11(15)9-5-3-4-6-10(9)12/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate?
ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate has a molecular weight of 300.69 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloronaphthalen-1-yl)oxy-2,2-difluoroacetate is sourced from PubChem (CID 66452638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).