methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate

C15H17FO3 — CID 54288369

IUPACmethyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate
SMILESCCOc1ccc(C2(C=C(F)C(=O)OC)CC2)cc1
InChIInChI=1S/C15H17FO3/c1-3-19-12-6-4-11(5-7-12)15(8-9-15)10-13(16)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyRVTOMEGVBWFJKK-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.14
Rot. Bonds5

About methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate

methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate (PubChem CID 54288369) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate
PubChem CID54288369
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Namemethyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate
SMILESCCOc1ccc(C2(C=C(F)C(=O)OC)CC2)cc1
InChIInChI=1S/C15H17FO3/c1-3-19-12-6-4-11(5-7-12)15(8-9-15)10-13(16)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyRVTOMEGVBWFJKK-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate
CID 100977610
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 94829289
1-(4-ethoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937797
methyl 4-(4-ethoxyphenoxy)-2-ethylbut-2-enoate
CID 77100339
methyl 2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 3512526
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
[1-(4-ethoxyphenyl)cyclobutyl] formate
CID 57134762
methyl 4-(4-ethoxyphenyl)-2,4-dioxobutanoate
CID 3803733
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
2,2-dichloroethenyl 1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
CID 87512433
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
(E)-3-(4-ethoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]prop-2-enamide
CID 94650415

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate?
The IUPAC name of methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate (CID 54288369) is methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate.
What is the SMILES notation for methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate?
The canonical SMILES for methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate is CCOc1ccc(C2(C=C(F)C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate?
The InChIKey is RVTOMEGVBWFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-3-19-12-6-4-11(5-7-12)15(8-9-15)10-13(16)14(17)18-2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate?
methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate has a molecular weight of 264.30 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate is sourced from PubChem (CID 54288369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).