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

C15H9F3O2 — CID 138480747

IUPAC[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccccc2F)c(F)c1F
InChIInChI=1S/C15H9F3O2/c1-2-13(19)20-12-8-7-10(14(17)15(12)18)9-5-3-4-6-11(9)16/h2-8H,1H2
InChIKeyHCJCISIDHCUZLN-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.86
Rot. Bonds3

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

[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate (PubChem CID 138480747) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
PubChem CID138480747
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccccc2F)c(F)c1F
InChIInChI=1S/C15H9F3O2/c1-2-13(19)20-12-8-7-10(14(17)15(12)18)9-5-3-4-6-11(9)16/h2-8H,1H2
InChIKeyHCJCISIDHCUZLN-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.86
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

[2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)phenyl] prop-2-enoate
CID 146247306
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)-2,3-difluorophenyl]methyl prop-2-enoate
CID 146531862
[4-[2,3-difluoro-4-(1-hydroxyprop-2-enoxy)phenyl]-3-fluorophenyl] prop-2-enoate
CID 126518140
[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)cyclohexa-1,3-dien-1-yl] prop-2-enoate
CID 122433548
fluoranthen-1-yl prop-2-enoate
CID 164546686
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
2-[4-(2,3-difluoro-4-prop-2-enoyloxyphenyl)phenoxy]ethenyl prop-2-enoate
CID 123643106
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(4-bromo-2-fluorophenyl) prop-2-enoate
CID 174643250
[2-fluoro-4-(2-fluoro-4-hydroxyphenyl)phenyl] prop-2-enoate
CID 121333283
(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate?
The IUPAC name of [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate (CID 138480747) is [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate?
The canonical SMILES for [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(-c2ccccc2F)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate?
The InChIKey is HCJCISIDHCUZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O2/c1-2-13(19)20-12-8-7-10(14(17)15(12)18)9-5-3-4-6-11(9)16/h2-8H,1H2.
What are the key properties of [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate?
[2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate has a molecular weight of 278.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(2-fluorophenyl)phenyl] prop-2-enoate is sourced from PubChem (CID 138480747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).