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

C13H14F2O2 — CID 118647046

IUPACethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(C2CC2)cc1
InChIInChI=1S/C13H14F2O2/c1-2-17-12(16)13(14,15)11-7-5-10(6-8-11)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyPEOKNRUXUWTPBF-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.22
Rot. Bonds4

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

ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate (PubChem CID 118647046) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate
PubChem CID118647046
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)c1ccc(C2CC2)cc1
InChIInChI=1S/C13H14F2O2/c1-2-17-12(16)13(14,15)11-7-5-10(6-8-11)9-3-4-9/h5-9H,2-4H2,1H3
InChIKeyPEOKNRUXUWTPBF-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[4-[4-(2-ethoxy-1,1-difluoro-2-oxoethyl)phenyl]phenyl]-2,2-difluoroacetate
CID 58543748
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 3-cyano-2-(4-cyclopropylphenyl)-2-methylpropanoate
CID 117049494
ethyl 2-(4-ethylsulfanylphenyl)-2,2-difluoroacetate
CID 125472129
ethyl 2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetate
CID 46220012
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
tert-butyl 4-(2-ethoxy-1,1-difluoro-2-oxoethyl)benzoate
CID 162398541
ethyl 2-[4-(tert-butyliminomethyl)phenyl]-2,2-difluoroacetate
CID 162397983
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 2,2-difluoro-2-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]acetate
CID 142688452
3,3-difluoro-3-[4-(4-methylcyclohexyl)phenyl]propanoic acid
CID 162547919
[4-[4-(1,1-difluoropropyl)phenyl]cyclohexyl] 3-fluoropropanoate
CID 20615099

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate (CID 118647046) is ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)c1ccc(C2CC2)cc1.
What is the InChIKey of ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate?
The InChIKey is PEOKNRUXUWTPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-2-17-12(16)13(14,15)11-7-5-10(6-8-11)9-3-4-9/h5-9H,2-4H2,1H3.
What are the key properties of ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate?
ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate has a molecular weight of 240.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopropylphenyl)-2,2-difluoroacetate is sourced from PubChem (CID 118647046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).