ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate

C17H15FO2 — CID 5377869

IUPACethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H15FO2/c1-2-20-17(19)16(18)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,2H2,1H3/b16-12-
InChIKeyJWWICBCDEQQGKQ-VBKFSLOCSA-N
MW270.30 g/mol
LogP4.23
Rot. Bonds4

About ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate

ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate (PubChem CID 5377869) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
PubChem CID5377869
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Nameethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H15FO2/c1-2-20-17(19)16(18)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,2H2,1H3/b16-12-
InChIKeyJWWICBCDEQQGKQ-VBKFSLOCSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.23
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 (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate (CID 5377869) is ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate is CCOC(=O)/C(F)=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
The InChIKey is JWWICBCDEQQGKQ-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H15FO2/c1-2-20-17(19)16(18)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,2H2,1H3/b16-12-.
What are the key properties of ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate has a molecular weight of 270.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 5377869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).