ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate

C14H18F2O3 — CID 113322624

IUPACethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
SMILESCCCCc1ccc(OC(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C14H18F2O3/c1-3-5-6-11-7-9-12(10-8-11)19-14(15,16)13(17)18-4-2/h7-10H,3-6H2,1-2H3
InChIKeyIFVWYUHTNZDJAS-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.56
Rot. Bonds7

About ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate

ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate (PubChem CID 113322624) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
PubChem CID113322624
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Nameethyl 2-(4-butylphenoxy)-2,2-difluoroacetate
SMILESCCCCc1ccc(OC(F)(F)C(=O)OCC)cc1
InChIInChI=1S/C14H18F2O3/c1-3-5-6-11-7-9-12(10-8-11)19-14(15,16)13(17)18-4-2/h7-10H,3-6H2,1-2H3
InChIKeyIFVWYUHTNZDJAS-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-2-(4-propylphenoxy)acetate
CID 66453939
ethyl 2,2-difluoro-2-[4-(hydroxymethyl)phenoxy]acetate
CID 66453718
2-(4-butylphenoxy)-2,2-difluoroacetohydrazide
CID 115493486
ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
CID 66452413
ethyl (4-pentylphenyl) carbonate
CID 118690159
diethyl 2-(4-butylphenyl)propanedioate
CID 14527868
1-butyl-4-[[4-[difluoro-(4-heptylphenoxy)methyl]phenyl]-difluoromethoxy]benzene
CID 70176932
ethyl 2-[4-(6-hydrazinyl-6-oxohexyl)phenoxy]-2-methylpropanoate
CID 59015968
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095
diethyl 2-(4-hexylphenyl)propanedioate
CID 12924928
1-[difluoro-(4-heptylphenoxy)methyl]-4-[difluoro-(4-nonylphenoxy)methyl]benzene
CID 70177776
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate (CID 113322624) is ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate is CCCCc1ccc(OC(F)(F)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate?
The InChIKey is IFVWYUHTNZDJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-3-5-6-11-7-9-12(10-8-11)19-14(15,16)13(17)18-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate?
ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate has a molecular weight of 272.29 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-butylphenoxy)-2,2-difluoroacetate is sourced from PubChem (CID 113322624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).