7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one

C15H10F2O2 — CID 46231663

IUPAC7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(F)cc2)Oc2cc(F)ccc21
InChIInChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2
InChIKeyYKJLGNVYFBPKJK-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.67
Rot. Bonds1

About 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one

7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 46231663) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID46231663
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(F)cc2)Oc2cc(F)ccc21
InChIInChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2
InChIKeyYKJLGNVYFBPKJK-UHFFFAOYSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one (CID 46231663) is 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(F)cc2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is YKJLGNVYFBPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14H,8H2.
What are the key properties of 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one?
7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 260.24 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-fluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 46231663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).