[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate

C14H15FO3 — CID 139950838

IUPAC[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)=Cc1ccc(OC)cc1
InChIInChI=1S/C14H15FO3/c1-10(2)14(16)18-9-12(15)8-11-4-6-13(17-3)7-5-11/h4-8H,1,9H2,2-3H3
InChIKeyLDLBDGBRJJJHPP-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.12
Rot. Bonds5

About [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate

[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate (PubChem CID 139950838) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate
PubChem CID139950838
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(F)=Cc1ccc(OC)cc1
InChIInChI=1S/C14H15FO3/c1-10(2)14(16)18-9-12(15)8-11-4-6-13(17-3)7-5-11/h4-8H,1,9H2,2-3H3
InChIKeyLDLBDGBRJJJHPP-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate?
The IUPAC name of [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate (CID 139950838) is [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(F)=Cc1ccc(OC)cc1.
What is the InChIKey of [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate?
The InChIKey is LDLBDGBRJJJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-10(2)14(16)18-9-12(15)8-11-4-6-13(17-3)7-5-11/h4-8H,1,9H2,2-3H3.
What are the key properties of [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate?
[2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate has a molecular weight of 250.27 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(4-methoxyphenyl)prop-2-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 139950838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).