[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate

C15H10F2O2 — CID 135190575

IUPAC[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C15H10F2O2/c1-2-15(18)19-14-7-6-11(9-13(14)17)10-4-3-5-12(16)8-10/h2-9H,1H2
InChIKeySWXBQBJTQANREJ-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.72
Rot. Bonds3

About [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate

[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate (PubChem CID 135190575) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
PubChem CID135190575
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2cccc(F)c2)cc1F
InChIInChI=1S/C15H10F2O2/c1-2-15(18)19-14-7-6-11(9-13(14)17)10-4-3-5-12(16)8-10/h2-9H,1H2
InChIKeySWXBQBJTQANREJ-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 67892187
[2-fluoro-4-(3-fluoro-4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 122660275
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
CID 121333283
2-[4-(3-fluoro-4-prop-2-enoyloxyphenyl)-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 90146916
(3-fluorophenyl) prop-2-enoate
CID 21098293
[4-(3-fluoro-4-methoxyphenyl)phenyl] prop-2-enoate
CID 126551737
[4-[4-(3-fluoro-4-methoxyphenyl)phenyl]phenyl] prop-2-enoate
CID 135163056
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
[2-fluoro-4-(3-fluorophenyl)phenyl] (2S)-2-methylbutanoate
CID 54290430
[4-(3,5-difluoro-4-prop-2-enoyloxyphenyl)-2-fluorophenyl] (E)-3-[2,6-difluoro-4-(3-fluoro-4-hydroxyphenyl)phenoxy]prop-2-enoate
CID 163927806
[4-[3-fluoro-5-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] prop-2-enoate
CID 67472311
[4-[4-[3-(2,2-difluoroethenoxy)-4-[3,4-di(prop-2-enoyloxy)phenyl]phenyl]-3-fluorophenyl]-2-prop-2-enoyloxyphenyl] prop-2-enoate
CID 118907389

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate?
The IUPAC name of [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate (CID 135190575) is [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate?
The canonical SMILES for [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2cccc(F)c2)cc1F.
What is the InChIKey of [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate?
The InChIKey is SWXBQBJTQANREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c1-2-15(18)19-14-7-6-11(9-13(14)17)10-4-3-5-12(16)8-10/h2-9H,1H2.
What are the key properties of [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate?
[2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate has a molecular weight of 260.24 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(3-fluorophenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 135190575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).