methyl (E)-4-(4-fluorophenyl)but-3-enoate

C11H11FO2 — CID 14915118

IUPACmethyl (E)-4-(4-fluorophenyl)but-3-enoate
SMILESCOC(=O)C/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h2-3,5-8H,4H2,1H3/b3-2+
InChIKeyCUPCAYFEJQXLDP-NSCUHMNNSA-N
MW194.20 g/mol
LogP2.40
Rot. Bonds3

About methyl (E)-4-(4-fluorophenyl)but-3-enoate

methyl (E)-4-(4-fluorophenyl)but-3-enoate (PubChem CID 14915118) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl (E)-4-(4-fluorophenyl)but-3-enoate.

Molecular Properties

Compound Namemethyl (E)-4-(4-fluorophenyl)but-3-enoate
PubChem CID14915118
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl (E)-4-(4-fluorophenyl)but-3-enoate
SMILESCOC(=O)C/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h2-3,5-8H,4H2,1H3/b3-2+
InChIKeyCUPCAYFEJQXLDP-NSCUHMNNSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cinnamyl Acetate
CID 5282110
2-Phenylethyl propionate
CID 31225
Cinnamyl propionate
CID 5355850
2-Propynoic acid, 3-phenyl-, ethyl ester
CID 91516
3-Butenoic acid, 4-phenyl-, (3E)-
CID 5370625
3-Phenyl-2-propen-1-yl acetate
CID 7660
3-Phenyl-3-buten-1-yl acetate
CID 81739
1-Propen-1-ol, 2-phenyl-, 1-acetate, (1E)-
CID 2753159
Styryl acetate
CID 5960065
Cinnamyl acetate, (Z)-
CID 5315912
methyl (2E)-3-(4-fluorophenyl)prop-2-enoate
CID 958751
Phenylpropynoic acid methyl ester
CID 138378

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-(4-fluorophenyl)but-3-enoate?
The IUPAC name of methyl (E)-4-(4-fluorophenyl)but-3-enoate (CID 14915118) is methyl (E)-4-(4-fluorophenyl)but-3-enoate.
What is the SMILES notation for methyl (E)-4-(4-fluorophenyl)but-3-enoate?
The canonical SMILES for methyl (E)-4-(4-fluorophenyl)but-3-enoate is COC(=O)C/C=C/c1ccc(F)cc1.
What is the InChIKey of methyl (E)-4-(4-fluorophenyl)but-3-enoate?
The InChIKey is CUPCAYFEJQXLDP-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H11FO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h2-3,5-8H,4H2,1H3/b3-2+.
What are the key properties of methyl (E)-4-(4-fluorophenyl)but-3-enoate?
methyl (E)-4-(4-fluorophenyl)but-3-enoate has a molecular weight of 194.20 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-(4-fluorophenyl)but-3-enoate is sourced from PubChem (CID 14915118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).