butyl (E)-2-fluoro-4-phenylpent-2-enoate

C15H19FO2 — CID 101182486

IUPACbutyl (E)-2-fluoro-4-phenylpent-2-enoate
SMILESCCCCOC(=O)/C(F)=C\C(C)c1ccccc1
InChIInChI=1S/C15H19FO2/c1-3-4-10-18-15(17)14(16)11-12(2)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3/b14-11+
InChIKeyVWAPNSOWTPCDMX-SDNWHVSQSA-N
MW250.31 g/mol
LogP3.99
Rot. Bonds6

About butyl (E)-2-fluoro-4-phenylpent-2-enoate

butyl (E)-2-fluoro-4-phenylpent-2-enoate (PubChem CID 101182486) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is butyl (E)-2-fluoro-4-phenylpent-2-enoate.

Molecular Properties

Compound Namebutyl (E)-2-fluoro-4-phenylpent-2-enoate
PubChem CID101182486
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Namebutyl (E)-2-fluoro-4-phenylpent-2-enoate
SMILESCCCCOC(=O)/C(F)=C\C(C)c1ccccc1
InChIInChI=1S/C15H19FO2/c1-3-4-10-18-15(17)14(16)11-12(2)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3/b14-11+
InChIKeyVWAPNSOWTPCDMX-SDNWHVSQSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutyl 2-[(2R)-2-phenylpropylidene]propanedioate
CID 102597585
ethyl 2-ethyl-4-phenylpent-2-enoate
CID 123338226
diethyl 2-[(2S)-2-phenylpropylidene]propanedioate
CID 101044093
butyl N-(1-phenylethyl)carbamate
CID 571821
argon;butyl 2-phenyl-2-sulfanylacetate
CID 161381761
pentyl (2S)-2-phenylpropanoate
CID 70845237
(2R)-3-butoxy-3-oxo-2-phenylpropanoic acid
CID 129385176
butyl (2R)-3,3-dimethyl-2-phenylbutanoate
CID 66805431
dihexyl 2-phenylpropanedioate
CID 19931020
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
dibutyl 2-phenyl-2-propan-2-ylpropanedioate
CID 118088461
butyl 3-ethoxy-3-phenylpropanoate
CID 174751774

Frequently Asked Questions

What is the IUPAC name of butyl (E)-2-fluoro-4-phenylpent-2-enoate?
The IUPAC name of butyl (E)-2-fluoro-4-phenylpent-2-enoate (CID 101182486) is butyl (E)-2-fluoro-4-phenylpent-2-enoate.
What is the SMILES notation for butyl (E)-2-fluoro-4-phenylpent-2-enoate?
The canonical SMILES for butyl (E)-2-fluoro-4-phenylpent-2-enoate is CCCCOC(=O)/C(F)=C\C(C)c1ccccc1.
What is the InChIKey of butyl (E)-2-fluoro-4-phenylpent-2-enoate?
The InChIKey is VWAPNSOWTPCDMX-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H19FO2/c1-3-4-10-18-15(17)14(16)11-12(2)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3/b14-11+.
What are the key properties of butyl (E)-2-fluoro-4-phenylpent-2-enoate?
butyl (E)-2-fluoro-4-phenylpent-2-enoate has a molecular weight of 250.31 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-2-fluoro-4-phenylpent-2-enoate is sourced from PubChem (CID 101182486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).