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

C16H13FO2 — CID 155664668

IUPACmethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
SMILESCOC(=O)/C(F)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13FO2/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChIKeyPGNYACIRRYDZCD-PTNGSMBKSA-N
MW256.28 g/mol
LogP3.84
Rot. Bonds3

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

methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate (PubChem CID 155664668) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
PubChem CID155664668
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Namemethyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate
SMILESCOC(=O)/C(F)=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H13FO2/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChIKeyPGNYACIRRYDZCD-PTNGSMBKSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.84
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 methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate (CID 155664668) is methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate is COC(=O)/C(F)=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
The InChIKey is PGNYACIRRYDZCD-PTNGSMBKSA-N. The full InChI is InChI=1S/C16H13FO2/c1-19-16(18)15(17)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3/b15-11-.
What are the key properties of methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate?
methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate has a molecular weight of 256.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-fluoro-3-(4-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 155664668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).