7-fluoro-3-methoxy-2,3-dihydrochromen-4-one

C10H9FO3 — CID 130039343

IUPAC7-fluoro-3-methoxy-2,3-dihydrochromen-4-one
SMILESCOC1COc2cc(F)ccc2C1=O
InChIInChI=1S/C10H9FO3/c1-13-9-5-14-8-4-6(11)2-3-7(8)10(9)12/h2-4,9H,5H2,1H3
InChIKeyLIKZZUZXLSJIFN-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.42
Rot. Bonds1

About 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one

7-fluoro-3-methoxy-2,3-dihydrochromen-4-one (PubChem CID 130039343) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-fluoro-3-methoxy-2,3-dihydrochromen-4-one
PubChem CID130039343
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name7-fluoro-3-methoxy-2,3-dihydrochromen-4-one
SMILESCOC1COc2cc(F)ccc2C1=O
InChIInChI=1S/C10H9FO3/c1-13-9-5-14-8-4-6(11)2-3-7(8)10(9)12/h2-4,9H,5H2,1H3
InChIKeyLIKZZUZXLSJIFN-UHFFFAOYSA-N
XLogP1.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one (CID 130039343) is 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one is COC1COc2cc(F)ccc2C1=O.
What is the InChIKey of 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is LIKZZUZXLSJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-13-9-5-14-8-4-6(11)2-3-7(8)10(9)12/h2-4,9H,5H2,1H3.
What are the key properties of 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one?
7-fluoro-3-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 196.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 130039343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).