[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate

C16H15FO3 — CID 89476128

IUPAC[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H15FO3/c1-11(2)15(18)20-16(3,14-5-4-10-19-14)12-6-8-13(17)9-7-12/h4-10H,1H2,2-3H3
InChIKeyVWAOLFFIPWXODL-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.80
Rot. Bonds4

About [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate

[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate (PubChem CID 89476128) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate
PubChem CID89476128
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H15FO3/c1-11(2)15(18)20-16(3,14-5-4-10-19-14)12-6-8-13(17)9-7-12/h4-10H,1H2,2-3H3
InChIKeyVWAOLFFIPWXODL-UHFFFAOYSA-N
XLogP3.80
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate 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

2-(furan-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 58734392
[1-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate;[1-cyclobutyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate;[1-cyclohexyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate;[1-cyclopentyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate;[1-cyclopropyl-1-(4-methylphenyl)ethyl] 2-methylprop-2-enoate;[2,4-dimethyl-3-(4-methylphenyl)pentan-3-yl] 2-methylprop-2-enoate;[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate;[1-(4-fluorophenyl)-1-thiophen-2-ylethyl] 2-methylprop-2-enoate;2-(4-methylphenyl)butan-2-yl 2-methylprop-2-enoate;3-(4-methylphenyl)pentan-3-yl 2-methylprop-2-enoate
CID 161158589
2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-one
CID 64757945
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
(4-fluorophenyl)-(furan-2-yl)-phenylmethanol
CID 117061851
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
1-(4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086010
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
1-tert-butyl-4-ethenylbenzene;trifluoromethyl 2-methylprop-2-enoate
CID 158477924
[2,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-3-yl] 2-methylprop-2-enoate
CID 89477194
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate (CID 89476128) is [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(c1ccc(F)cc1)c1ccco1.
What is the InChIKey of [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate?
The InChIKey is VWAOLFFIPWXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11(2)15(18)20-16(3,14-5-4-10-19-14)12-6-8-13(17)9-7-12/h4-10H,1H2,2-3H3.
What are the key properties of [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate?
[1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate has a molecular weight of 274.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-(furan-2-yl)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89476128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).