ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate

C18H23FO5 — CID 58763350

IUPACethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1c(F)ccc(C2(CC)OCCO2)c1OC
InChIInChI=1S/C18H23FO5/c1-4-18(23-8-9-24-18)13-6-7-14(19)15(16(13)21-3)11-10-12(11)17(20)22-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyXGFFFHPBXCPSRX-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.11
Rot. Bonds6

About ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate

ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate (PubChem CID 58763350) has the molecular formula C18H23FO5 and a molecular weight of 338.38 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate
PubChem CID58763350
Molecular FormulaC18H23FO5
Molecular Weight338.38 g/mol
Exact Mass338.15
IUPAC Nameethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1c(F)ccc(C2(CC)OCCO2)c1OC
InChIInChI=1S/C18H23FO5/c1-4-18(23-8-9-24-18)13-6-7-14(19)15(16(13)21-3)11-10-12(11)17(20)22-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyXGFFFHPBXCPSRX-UHFFFAOYSA-N
XLogP3.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate (CID 58763350) is ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1c(F)ccc(C2(CC)OCCO2)c1OC.
What is the InChIKey of ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate?
The InChIKey is XGFFFHPBXCPSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO5/c1-4-18(23-8-9-24-18)13-6-7-14(19)15(16(13)21-3)11-10-12(11)17(20)22-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate?
ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethyl-1,3-dioxolan-2-yl)-6-fluoro-2-methoxyphenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 58763350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).