2-fluorochromen-5-one

C9H5FO2 — CID 151918198

IUPAC2-fluorochromen-5-one
SMILESO=c1cccc2oc(F)ccc1-2
InChIInChI=1S/C9H5FO2/c10-9-5-4-6-7(11)2-1-3-8(6)12-9/h1-5H
InChIKeySWEZNAIYHUXUBG-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.88
Rot. Bonds

About 2-fluorochromen-5-one

2-fluorochromen-5-one (PubChem CID 151918198) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2-fluorochromen-5-one.

Molecular Properties

Compound Name2-fluorochromen-5-one
PubChem CID151918198
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name2-fluorochromen-5-one
SMILESO=c1cccc2oc(F)ccc1-2
InChIInChI=1S/C9H5FO2/c10-9-5-4-6-7(11)2-1-3-8(6)12-9/h1-5H
InChIKeySWEZNAIYHUXUBG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluorochromen-5-one?
The IUPAC name of 2-fluorochromen-5-one (CID 151918198) is 2-fluorochromen-5-one.
What is the SMILES notation for 2-fluorochromen-5-one?
The canonical SMILES for 2-fluorochromen-5-one is O=c1cccc2oc(F)ccc1-2.
What is the InChIKey of 2-fluorochromen-5-one?
The InChIKey is SWEZNAIYHUXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-9-5-4-6-7(11)2-1-3-8(6)12-9/h1-5H.
What are the key properties of 2-fluorochromen-5-one?
2-fluorochromen-5-one has a molecular weight of 164.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorochromen-5-one is sourced from PubChem (CID 151918198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).