7-(diethylamino)-5-(trifluoromethyl)chromen-2-one

C14H14F3NO2 — CID 87910268

IUPAC7-(diethylamino)-5-(trifluoromethyl)chromen-2-one
SMILESCCN(CC)c1cc(C(F)(F)F)c2ccc(=O)oc2c1
InChIInChI=1S/C14H14F3NO2/c1-3-18(4-2)9-7-11(14(15,16)17)10-5-6-13(19)20-12(10)8-9/h5-8H,3-4H2,1-2H3
InChIKeyCNSZPBBLMUPITM-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.66
Rot. Bonds3

About 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one

7-(diethylamino)-5-(trifluoromethyl)chromen-2-one (PubChem CID 87910268) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-5-(trifluoromethyl)chromen-2-one
PubChem CID87910268
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name7-(diethylamino)-5-(trifluoromethyl)chromen-2-one
SMILESCCN(CC)c1cc(C(F)(F)F)c2ccc(=O)oc2c1
InChIInChI=1S/C14H14F3NO2/c1-3-18(4-2)9-7-11(14(15,16)17)10-5-6-13(19)20-12(10)8-9/h5-8H,3-4H2,1-2H3
InChIKeyCNSZPBBLMUPITM-UHFFFAOYSA-N
XLogP3.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-5-methylchromen-2-one
CID 164804520
7-(diethylamino)chromen-2-one;formonitrile
CID 134347975
4-azido-7-(diethylamino)chromen-2-one
CID 91426340
6,16-bis(diethylamino)-9,19-dioxapentacyclo[10.8.0.02,11.03,8.013,18]icosa-1(12),2(11),3(8),4,6,13(18),14,16-octaene-10,20-dione
CID 142217669
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-methoxy-4-(trifluoromethyl)chromen-2-one
CID 688586
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-(diethylamino)-4-[4-(hydroxymethyl)phenyl]chromen-2-one
CID 72546247
7-(trichloromethyl)-4-(trifluoromethyl)chromen-2-one
CID 90255871
7-(diethylamino)chromen-2-one;2-methylidenepropanedinitrile
CID 175090342
3-(diethylamino)benzo[c][1]benzoxepine-6,11-dione
CID 10085865
7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
CID 154718163

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one (CID 87910268) is 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one is CCN(CC)c1cc(C(F)(F)F)c2ccc(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one?
The InChIKey is CNSZPBBLMUPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-7-11(14(15,16)17)10-5-6-13(19)20-12(10)8-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one?
7-(diethylamino)-5-(trifluoromethyl)chromen-2-one has a molecular weight of 285.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-5-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 87910268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).