6-fluoro-2-oxochromene-4-carbaldehyde

C10H5FO3 — CID 139198666

IUPAC6-fluoro-2-oxochromene-4-carbaldehyde
SMILESO=Cc1cc(=O)oc2ccc(F)cc12
InChIInChI=1S/C10H5FO3/c11-7-1-2-9-8(4-7)6(5-12)3-10(13)14-9/h1-5H
InChIKeyZKPNMYMQDHKPLY-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.74
Rot. Bonds1

About 6-fluoro-2-oxochromene-4-carbaldehyde

6-fluoro-2-oxochromene-4-carbaldehyde (PubChem CID 139198666) has the molecular formula C10H5FO3 and a molecular weight of 192.15 g/mol. Its IUPAC name is 6-fluoro-2-oxochromene-4-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-oxochromene-4-carbaldehyde
PubChem CID139198666
Molecular FormulaC10H5FO3
Molecular Weight192.15 g/mol
Exact Mass192.02
IUPAC Name6-fluoro-2-oxochromene-4-carbaldehyde
SMILESO=Cc1cc(=O)oc2ccc(F)cc12
InChIInChI=1S/C10H5FO3/c11-7-1-2-9-8(4-7)6(5-12)3-10(13)14-9/h1-5H
InChIKeyZKPNMYMQDHKPLY-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
2-oxochromene-4,7-dicarbaldehyde
CID 90255777
4-acetyl-6-fluorochromen-2-one
CID 53386591
6-fluoro-4-[2-(2-fluorophenyl)ethyl]chromen-2-one
CID 100959807
5-fluoro-2-methoxy-1-benzofuran-3-carbaldehyde
CID 82401512
6-fluoro-2-oxo-1H-quinoline-4-carbaldehyde
CID 83753028
6-fluoro-1-benzofuran-3-carbaldehyde
CID 82414998
4-(6-fluoro-2-oxochromen-4-yl)oxy-N-hydroxybutanamide
CID 169095174
8-fluoro-1H-chromeno[4,3-b]pyrrol-4-one
CID 145414402
6-fluoro-2-(hydroxymethyl)chromen-4-one
CID 14089208
5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
3-ethenyl-6-fluoro-4-methylchromen-2-one
CID 24787267

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxochromene-4-carbaldehyde?
The IUPAC name of 6-fluoro-2-oxochromene-4-carbaldehyde (CID 139198666) is 6-fluoro-2-oxochromene-4-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-oxochromene-4-carbaldehyde?
The canonical SMILES for 6-fluoro-2-oxochromene-4-carbaldehyde is O=Cc1cc(=O)oc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-oxochromene-4-carbaldehyde?
The InChIKey is ZKPNMYMQDHKPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FO3/c11-7-1-2-9-8(4-7)6(5-12)3-10(13)14-9/h1-5H.
What are the key properties of 6-fluoro-2-oxochromene-4-carbaldehyde?
6-fluoro-2-oxochromene-4-carbaldehyde has a molecular weight of 192.15 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxochromene-4-carbaldehyde is sourced from PubChem (CID 139198666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).