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

C14H16F2O3 — CID 20817474

IUPACethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(OC)c(F)c1F
InChIInChI=1S/C14H16F2O3/c1-3-19-12(17)7-8-6-10(8)9-4-5-11(18-2)14(16)13(9)15/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyDMOAPUTWLBHHLR-UHFFFAOYSA-N
MW270.27 g/mol
LogP3.03
Rot. Bonds5

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

ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate (PubChem CID 20817474) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate
PubChem CID20817474
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(OC)c(F)c1F
InChIInChI=1S/C14H16F2O3/c1-3-19-12(17)7-8-6-10(8)9-4-5-11(18-2)14(16)13(9)15/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyDMOAPUTWLBHHLR-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2,3-difluoro-4-hydroxyphenyl)cyclopropyl]acetate
CID 20817473
ethyl 2-[2-(2-fluoro-4-hydroxyphenyl)cyclopropyl]acetate
CID 58566544
ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
CID 59988842
ethyl 4-(2,3-difluoro-4-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171897738
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl (3S)-3-amino-3-(2-fluoro-3-methoxyphenyl)propanoate
CID 171225305
ethyl 2-[4-(4-chloro-2,3-difluorophenyl)cyclohexyl]acetate
CID 174866389
ethyl (3S)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoate
CID 171235397
ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
CID 59455542
ethyl 2-(2-cyano-3-fluoro-4-methoxyphenyl)acetate
CID 134653984
ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate (CID 20817474) is ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate is CCOC(=O)CC1CC1c1ccc(OC)c(F)c1F.
What is the InChIKey of ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate?
The InChIKey is DMOAPUTWLBHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-3-19-12(17)7-8-6-10(8)9-4-5-11(18-2)14(16)13(9)15/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate?
ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate has a molecular weight of 270.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate is sourced from PubChem (CID 20817474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).