6-fluorochromen-4-one

C9H5FO2 — CID 688892

IUPAC6-fluorochromen-4-one
SMILESO=c1ccoc2ccc(F)cc12
InChIInChI=1S/C9H5FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKeyWHIGSYZUTMYUAX-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.93
Rot. Bonds

About 6-fluorochromen-4-one

6-fluorochromen-4-one (PubChem CID 688892) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 6-fluorochromen-4-one.

Molecular Properties

Compound Name6-fluorochromen-4-one
PubChem CID688892
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name6-fluorochromen-4-one
SMILESO=c1ccoc2ccc(F)cc12
InChIInChI=1S/C9H5FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKeyWHIGSYZUTMYUAX-UHFFFAOYSA-N
XLogP1.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluorochromen-4-one?
The IUPAC name of 6-fluorochromen-4-one (CID 688892) is 6-fluorochromen-4-one.
What is the SMILES notation for 6-fluorochromen-4-one?
The canonical SMILES for 6-fluorochromen-4-one is O=c1ccoc2ccc(F)cc12.
What is the InChIKey of 6-fluorochromen-4-one?
The InChIKey is WHIGSYZUTMYUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H.
What are the key properties of 6-fluorochromen-4-one?
6-fluorochromen-4-one has a molecular weight of 164.13 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorochromen-4-one is sourced from PubChem (CID 688892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).