ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate

C14H18F2O3 — CID 118647066

IUPACethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H18F2O3/c1-5-18-13(17)14(15,16)11-6-7-12(10(4)8-11)19-9(2)3/h6-9H,5H2,1-4H3
InChIKeyKDTXRZYZHMOLPL-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate

ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate (PubChem CID 118647066) has the molecular formula C14H18F2O3 and a molecular weight of 272.29 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate
PubChem CID118647066
Molecular FormulaC14H18F2O3
Molecular Weight272.29 g/mol
Exact Mass272.12
IUPAC Nameethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H18F2O3/c1-5-18-13(17)14(15,16)11-6-7-12(10(4)8-11)19-9(2)3/h6-9H,5H2,1-4H3
InChIKeyKDTXRZYZHMOLPL-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoropropanoate
CID 105426766
ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoate
CID 105426760
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
2,2,2-trifluoro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
CID 82295021
ethyl 2,2-difluoro-2-(4-formyl-3-methoxyphenyl)acetate
CID 162397982
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 2,2-difluoro-2-(2,4,5-trimethylphenyl)acetate
CID 64985126
ethyl 2,2-difluoro-2-(2-fluoro-4-pyridinyl)acetate
CID 170947614
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
ethyl 2-(4-ethylsulfanylphenyl)-2,2-difluoroacetate
CID 125472129

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate (CID 118647066) is ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate is CCOC(=O)C(F)(F)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate?
The InChIKey is KDTXRZYZHMOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O3/c1-5-18-13(17)14(15,16)11-6-7-12(10(4)8-11)19-9(2)3/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate?
ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate has a molecular weight of 272.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(3-methyl-4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 118647066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).