6-fluoro-2,3-dihydrobenzo[h]chromen-4-one

C13H9FO2 — CID 175094711

IUPAC6-fluoro-2,3-dihydrobenzo[h]chromen-4-one
SMILESO=C1CCOc2c1cc(F)c1ccccc21
InChIInChI=1S/C13H9FO2/c14-11-7-10-12(15)5-6-16-13(10)9-4-2-1-3-8(9)11/h1-4,7H,5-6H2
InChIKeyNPXNNGANTJVASY-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.94
Rot. Bonds

About 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one

6-fluoro-2,3-dihydrobenzo[h]chromen-4-one (PubChem CID 175094711) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2,3-dihydrobenzo[h]chromen-4-one
PubChem CID175094711
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name6-fluoro-2,3-dihydrobenzo[h]chromen-4-one
SMILESO=C1CCOc2c1cc(F)c1ccccc21
InChIInChI=1S/C13H9FO2/c14-11-7-10-12(15)5-6-16-13(10)9-4-2-1-3-8(9)11/h1-4,7H,5-6H2
InChIKeyNPXNNGANTJVASY-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one?
The IUPAC name of 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one (CID 175094711) is 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one.
What is the SMILES notation for 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one?
The canonical SMILES for 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one is O=C1CCOc2c1cc(F)c1ccccc21.
What is the InChIKey of 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one?
The InChIKey is NPXNNGANTJVASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2/c14-11-7-10-12(15)5-6-16-13(10)9-4-2-1-3-8(9)11/h1-4,7H,5-6H2.
What are the key properties of 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one?
6-fluoro-2,3-dihydrobenzo[h]chromen-4-one has a molecular weight of 216.21 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydrobenzo[h]chromen-4-one is sourced from PubChem (CID 175094711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).