7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one

C15H16F3NO3 — CID 175497179

IUPAC7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one
SMILESCCN(CC)c1ccc2c(=O)cc(OC(F)C(F)F)oc2c1
InChIInChI=1S/C15H16F3NO3/c1-3-19(4-2)9-5-6-10-11(20)8-13(21-12(10)7-9)22-15(18)14(16)17/h5-8,14-15H,3-4H2,1-2H3
InChIKeyUQLBQFWAOOOCMC-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.58
Rot. Bonds6

About 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one

7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one (PubChem CID 175497179) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one.

Molecular Properties

Compound Name7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one
PubChem CID175497179
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one
SMILESCCN(CC)c1ccc2c(=O)cc(OC(F)C(F)F)oc2c1
InChIInChI=1S/C15H16F3NO3/c1-3-19(4-2)9-5-6-10-11(20)8-13(21-12(10)7-9)22-15(18)14(16)17/h5-8,14-15H,3-4H2,1-2H3
InChIKeyUQLBQFWAOOOCMC-UHFFFAOYSA-N
XLogP3.58
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one?
The IUPAC name of 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one (CID 175497179) is 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one.
What is the SMILES notation for 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one?
The canonical SMILES for 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one is CCN(CC)c1ccc2c(=O)cc(OC(F)C(F)F)oc2c1.
What is the InChIKey of 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one?
The InChIKey is UQLBQFWAOOOCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-3-19(4-2)9-5-6-10-11(20)8-13(21-12(10)7-9)22-15(18)14(16)17/h5-8,14-15H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one?
7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one has a molecular weight of 315.29 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-(1,2,2-trifluoroethoxy)chromen-4-one is sourced from PubChem (CID 175497179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).