2,5-difluoro-3-iodochromen-4-one

C9H3F2IO2 — CID 141326158

IUPAC2,5-difluoro-3-iodochromen-4-one
SMILESO=c1c(I)c(F)oc2cccc(F)c12
InChIInChI=1S/C9H3F2IO2/c10-4-2-1-3-5-6(4)8(13)7(12)9(11)14-5/h1-3H
InChIKeyHAOIZJRBSQPIQE-UHFFFAOYSA-N
MW308.02 g/mol
LogP2.68
Rot. Bonds

About 2,5-difluoro-3-iodochromen-4-one

2,5-difluoro-3-iodochromen-4-one (PubChem CID 141326158) has the molecular formula C9H3F2IO2 and a molecular weight of 308.02 g/mol. Its IUPAC name is 2,5-difluoro-3-iodochromen-4-one.

Molecular Properties

Compound Name2,5-difluoro-3-iodochromen-4-one
PubChem CID141326158
Molecular FormulaC9H3F2IO2
Molecular Weight308.02 g/mol
Exact Mass307.91
IUPAC Name2,5-difluoro-3-iodochromen-4-one
SMILESO=c1c(I)c(F)oc2cccc(F)c12
InChIInChI=1S/C9H3F2IO2/c10-4-2-1-3-5-6(4)8(13)7(12)9(11)14-5/h1-3H
InChIKeyHAOIZJRBSQPIQE-UHFFFAOYSA-N
XLogP2.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.02
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 135044827
5-fluoro-3-iodo-2-phenylchromen-4-one
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1-fluoro-6-hydroxy-5-methylxanthen-9-one
CID 15617002
6-fluoro-[1]benzofuro[3,2-b]chromen-11-one
CID 132822183
2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
CID 71465690
CID 89180672
CID 89180672
2-ethyl-5-fluoro-3-(2-fluorophenyl)chromen-4-one
CID 89154232
16-fluoro-5,7,21-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-14-one
CID 135193875
5-fluoro-2-[(1S)-1-hydroxyethyl]-3-phenylchromen-4-one
CID 140599559
5-fluoro-3-(3-fluorophenyl)chromen-4-one
CID 123336673
4,8-difluoro-3-iodo-2H-isoquinolin-1-one
CID 170115692

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-iodochromen-4-one?
The IUPAC name of 2,5-difluoro-3-iodochromen-4-one (CID 141326158) is 2,5-difluoro-3-iodochromen-4-one.
What is the SMILES notation for 2,5-difluoro-3-iodochromen-4-one?
The canonical SMILES for 2,5-difluoro-3-iodochromen-4-one is O=c1c(I)c(F)oc2cccc(F)c12.
What is the InChIKey of 2,5-difluoro-3-iodochromen-4-one?
The InChIKey is HAOIZJRBSQPIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F2IO2/c10-4-2-1-3-5-6(4)8(13)7(12)9(11)14-5/h1-3H.
What are the key properties of 2,5-difluoro-3-iodochromen-4-one?
2,5-difluoro-3-iodochromen-4-one has a molecular weight of 308.02 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-iodochromen-4-one is sourced from PubChem (CID 141326158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).