ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate

C14H16F2O3 — CID 20792268

IUPACethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1C(c2ccc(OC)cc2)C1(F)F
InChIInChI=1S/C14H16F2O3/c1-3-19-12(17)8-11-13(14(11,15)16)9-4-6-10(18-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyCFZDLIPIXNGFKB-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.00
Rot. Bonds5

About ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate

ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate (PubChem CID 20792268) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
PubChem CID20792268
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1C(c2ccc(OC)cc2)C1(F)F
InChIInChI=1S/C14H16F2O3/c1-3-19-12(17)8-11-13(14(11,15)16)9-4-6-10(18-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyCFZDLIPIXNGFKB-UHFFFAOYSA-N
XLogP3.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate (CID 20792268) is ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate is CCOC(=O)CC1C(c2ccc(OC)cc2)C1(F)F.
What is the InChIKey of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
The InChIKey is CFZDLIPIXNGFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-3-19-12(17)8-11-13(14(11,15)16)9-4-6-10(18-2)7-5-9/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate?
ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate has a molecular weight of 270.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,2-difluoro-3-(4-methoxyphenyl)cyclopropyl]acetate is sourced from PubChem (CID 20792268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).