[7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate

C23H14FNO2 — CID 89249988

IUPAC[7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)Cc1cc(-c3ccc(C#N)c(F)c3)ccc1-2
InChIInChI=1S/C23H14FNO2/c1-2-23(26)27-19-6-8-21-18(11-19)10-17-9-14(5-7-20(17)21)15-3-4-16(13-25)22(24)12-15/h2-9,11-12H,1,10H2
InChIKeySJQGWSYYJMFCFH-UHFFFAOYSA-N
MW355.37 g/mol
LogP5.03
Rot. Bonds3

About [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate

[7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate (PubChem CID 89249988) has the molecular formula C23H14FNO2 and a molecular weight of 355.37 g/mol. Its IUPAC name is [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate
PubChem CID89249988
Molecular FormulaC23H14FNO2
Molecular Weight355.37 g/mol
Exact Mass355.10
IUPAC Name[7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(c1)Cc1cc(-c3ccc(C#N)c(F)c3)ccc1-2
InChIInChI=1S/C23H14FNO2/c1-2-23(26)27-19-6-8-21-18(11-19)10-17-9-14(5-7-20(17)21)15-3-4-16(13-25)22(24)12-15/h2-9,11-12H,1,10H2
InChIKeySJQGWSYYJMFCFH-UHFFFAOYSA-N
XLogP5.03
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate?
The IUPAC name of [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate (CID 89249988) is [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate.
What is the SMILES notation for [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate?
The canonical SMILES for [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate is C=CC(=O)Oc1ccc2c(c1)Cc1cc(-c3ccc(C#N)c(F)c3)ccc1-2.
What is the InChIKey of [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate?
The InChIKey is SJQGWSYYJMFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNO2/c1-2-23(26)27-19-6-8-21-18(11-19)10-17-9-14(5-7-20(17)21)15-3-4-16(13-25)22(24)12-15/h2-9,11-12H,1,10H2.
What are the key properties of [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate?
[7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate has a molecular weight of 355.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-cyano-3-fluorophenyl)-9H-fluoren-2-yl] prop-2-enoate is sourced from PubChem (CID 89249988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).