6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde

C14H7FO3 — CID 146273634

IUPAC6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde
SMILESO=Cc1coc2c(cc(F)c3ccccc32)c1=O
InChIInChI=1S/C14H7FO3/c15-12-5-11-13(17)8(6-16)7-18-14(11)10-4-2-1-3-9(10)12/h1-7H
InChIKeyQQPIXXYBSJHBKH-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.90
Rot. Bonds1

About 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde

6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde (PubChem CID 146273634) has the molecular formula C14H7FO3 and a molecular weight of 242.21 g/mol. Its IUPAC name is 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde
PubChem CID146273634
Molecular FormulaC14H7FO3
Molecular Weight242.21 g/mol
Exact Mass242.04
IUPAC Name6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde
SMILESO=Cc1coc2c(cc(F)c3ccccc32)c1=O
InChIInChI=1S/C14H7FO3/c15-12-5-11-13(17)8(6-16)7-18-14(11)10-4-2-1-3-9(10)12/h1-7H
InChIKeyQQPIXXYBSJHBKH-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde?
The IUPAC name of 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde (CID 146273634) is 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde.
What is the SMILES notation for 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde?
The canonical SMILES for 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde is O=Cc1coc2c(cc(F)c3ccccc32)c1=O.
What is the InChIKey of 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde?
The InChIKey is QQPIXXYBSJHBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7FO3/c15-12-5-11-13(17)8(6-16)7-18-14(11)10-4-2-1-3-9(10)12/h1-7H.
What are the key properties of 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde?
6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde has a molecular weight of 242.21 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxobenzo[h]chromene-3-carbaldehyde is sourced from PubChem (CID 146273634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).