methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate

C15H17FO4 — CID 83922563

IUPACmethyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1cc2c(cc1F)OCCO2
InChIInChI=1S/C15H17FO4/c1-18-15(17)11-6-9(11)2-3-10-7-13-14(8-12(10)16)20-5-4-19-13/h7-9,11H,2-6H2,1H3
InChIKeyAKRBKJLKTMOMMT-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.34
Rot. Bonds4

About methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate

methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate (PubChem CID 83922563) has the molecular formula C15H17FO4 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate
PubChem CID83922563
Molecular FormulaC15H17FO4
Molecular Weight280.30 g/mol
Exact Mass280.11
IUPAC Namemethyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CCc1cc2c(cc1F)OCCO2
InChIInChI=1S/C15H17FO4/c1-18-15(17)11-6-9(11)2-3-10-7-13-14(8-12(10)16)20-5-4-19-13/h7-9,11H,2-6H2,1H3
InChIKeyAKRBKJLKTMOMMT-UHFFFAOYSA-N
XLogP2.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-[2-(2-chloro-6-fluorophenyl)ethyl]cyclopropane-1-carboxylate
CID 83925307
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
methyl 2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylate
CID 83940906
cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
CID 167735532
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclopropane-1-carboxylate
CID 123193611
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
CID 122227702
CID 89108103
CID 89108103
4-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)butanoic acid
CID 117388535
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate (CID 83922563) is methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CCc1cc2c(cc1F)OCCO2.
What is the InChIKey of methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate?
The InChIKey is AKRBKJLKTMOMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO4/c1-18-15(17)11-6-9(11)2-3-10-7-13-14(8-12(10)16)20-5-4-19-13/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate?
methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83922563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).