ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate

C24H21FO2 — CID 162415934

IUPACethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate
SMILESCCOC(=O)/C(Cc1ccc(-c2ccccc2)cc1)=C(/F)c1ccccc1
InChIInChI=1S/C24H21FO2/c1-2-27-24(26)22(23(25)21-11-7-4-8-12-21)17-18-13-15-20(16-14-18)19-9-5-3-6-10-19/h3-16H,2,17H2,1H3/b23-22+
InChIKeyVKXHGWBYXBLMLR-GHVJWSGMSA-N
MW360.43 g/mol
LogP5.84
Rot. Bonds6

About ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate

ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate (PubChem CID 162415934) has the molecular formula C24H21FO2 and a molecular weight of 360.43 g/mol. Its IUPAC name is ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate
PubChem CID162415934
Molecular FormulaC24H21FO2
Molecular Weight360.43 g/mol
Exact Mass360.15
IUPAC Nameethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate
SMILESCCOC(=O)/C(Cc1ccc(-c2ccccc2)cc1)=C(/F)c1ccccc1
InChIInChI=1S/C24H21FO2/c1-2-27-24(26)22(23(25)21-11-7-4-8-12-21)17-18-13-15-20(16-14-18)19-9-5-3-6-10-19/h3-16H,2,17H2,1H3/b23-22+
InChIKeyVKXHGWBYXBLMLR-GHVJWSGMSA-N
XLogP5.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate (CID 162415934) is ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate is CCOC(=O)/C(Cc1ccc(-c2ccccc2)cc1)=C(/F)c1ccccc1.
What is the InChIKey of ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate?
The InChIKey is VKXHGWBYXBLMLR-GHVJWSGMSA-N. The full InChI is InChI=1S/C24H21FO2/c1-2-27-24(26)22(23(25)21-11-7-4-8-12-21)17-18-13-15-20(16-14-18)19-9-5-3-6-10-19/h3-16H,2,17H2,1H3/b23-22+.
What are the key properties of ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate?
ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate has a molecular weight of 360.43 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-fluoro-3-phenyl-2-[(4-phenylphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 162415934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).