ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate

C14H16F2O2 — CID 58566598

IUPACethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1cc(F)c(C)c(F)c1
InChIInChI=1S/C14H16F2O2/c1-3-18-14(17)7-9-4-11(9)10-5-12(15)8(2)13(16)6-10/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyWTECMBJMSYJKBZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.33
Rot. Bonds4

About ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate

ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate (PubChem CID 58566598) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
PubChem CID58566598
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1cc(F)c(C)c(F)c1
InChIInChI=1S/C14H16F2O2/c1-3-18-14(17)7-9-4-11(9)10-5-12(15)8(2)13(16)6-10/h5-6,9,11H,3-4,7H2,1-2H3
InChIKeyWTECMBJMSYJKBZ-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[2-(3,5-difluoro-4-methylphenyl)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-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate (CID 58566598) is ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate is CCOC(=O)CC1CC1c1cc(F)c(C)c(F)c1.
What is the InChIKey of ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate?
The InChIKey is WTECMBJMSYJKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c1-3-18-14(17)7-9-4-11(9)10-5-12(15)8(2)13(16)6-10/h5-6,9,11H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate?
ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate has a molecular weight of 254.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate is sourced from PubChem (CID 58566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).