ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one

C15H20FNO3 — CID 170958990

IUPACethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one
SMILESCC.O=C1c2ccc(F)cc2OCC1N1CCOCC1
InChIInChI=1S/C13H14FNO3.C2H6/c14-9-1-2-10-12(7-9)18-8-11(13(10)16)15-3-5-17-6-4-15;1-2/h1-2,7,11H,3-6,8H2;1-2H3
InChIKeyZXXGKMHZNZOJDM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.13
Rot. Bonds1

About ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one

ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one (PubChem CID 170958990) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Nameethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one
PubChem CID170958990
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one
SMILESCC.O=C1c2ccc(F)cc2OCC1N1CCOCC1
InChIInChI=1S/C13H14FNO3.C2H6/c14-9-1-2-10-12(7-9)18-8-11(13(10)16)15-3-5-17-6-4-15;1-2/h1-2,7,11H,3-6,8H2;1-2H3
InChIKeyZXXGKMHZNZOJDM-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one?
The IUPAC name of ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one (CID 170958990) is ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one is CC.O=C1c2ccc(F)cc2OCC1N1CCOCC1.
What is the InChIKey of ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one?
The InChIKey is ZXXGKMHZNZOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3.C2H6/c14-9-1-2-10-12(7-9)18-8-11(13(10)16)15-3-5-17-6-4-15;1-2/h1-2,7,11H,3-6,8H2;1-2H3.
What are the key properties of ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one?
ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one has a molecular weight of 281.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 170958990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).