methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate

C14H15FO3 — CID 100977610

IUPACmethyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate
SMILESCOC(=O)/C(F)=C/C1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H15FO3/c1-17-11-5-3-10(4-6-11)14(7-8-14)9-12(15)13(16)18-2/h3-6,9H,7-8H2,1-2H3/b12-9-
InChIKeyRBTLZKIFRHLBFQ-XFXZXTDPSA-N
MW250.27 g/mol
LogP2.75
Rot. Bonds4

About methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate

methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate (PubChem CID 100977610) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate
PubChem CID100977610
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Namemethyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate
SMILESCOC(=O)/C(F)=C/C1(c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H15FO3/c1-17-11-5-3-10(4-6-11)14(7-8-14)9-12(15)13(16)18-2/h3-6,9H,7-8H2,1-2H3/b12-9-
InChIKeyRBTLZKIFRHLBFQ-XFXZXTDPSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.75
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 3-[1-(4-ethoxyphenyl)cyclopropyl]-2-fluoroprop-2-enoate
CID 54288369
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide
CID 146623691
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
2,3,4-trifluoro-N-[1-(4-methoxyphenyl)cyclopropyl]benzamide
CID 113091163

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate?
The IUPAC name of methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate (CID 100977610) is methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate?
The canonical SMILES for methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate is COC(=O)/C(F)=C/C1(c2ccc(OC)cc2)CC1.
What is the InChIKey of methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate?
The InChIKey is RBTLZKIFRHLBFQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H15FO3/c1-17-11-5-3-10(4-6-11)14(7-8-14)9-12(15)13(16)18-2/h3-6,9H,7-8H2,1-2H3/b12-9-.
What are the key properties of methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate?
methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate has a molecular weight of 250.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate is sourced from PubChem (CID 100977610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).