3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one

C13H12F3NO2 — CID 141140609

IUPAC3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one
SMILESCCNc1c(C(F)(F)F)c2cc(C)ccc2oc1=O
InChIInChI=1S/C13H12F3NO2/c1-3-17-11-10(13(14,15)16)8-6-7(2)4-5-9(8)19-12(11)18/h4-6,17H,3H2,1-2H3
InChIKeyAEMKSWUKLJPELX-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.55
Rot. Bonds2

About 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one

3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one (PubChem CID 141140609) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one
PubChem CID141140609
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one
SMILESCCNc1c(C(F)(F)F)c2cc(C)ccc2oc1=O
InChIInChI=1S/C13H12F3NO2/c1-3-17-11-10(13(14,15)16)8-6-7(2)4-5-9(8)19-12(11)18/h4-6,17H,3H2,1-2H3
InChIKeyAEMKSWUKLJPELX-UHFFFAOYSA-N
XLogP3.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-difluoro-2-[6-methyl-4-(4-methylphenyl)-2-oxochromen-3-yl]acetate
CID 122218940
2-methyl-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135193767
3-(ethylamino)-2-oxochromene-4-carbaldehyde
CID 141363714
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
CID 35396955
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
2-(4-chloro-6-methyl-2-oxochromen-3-yl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 141125659
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
CID 163125433
3-chloro-4-(trifluoromethyl)chromen-2-one
CID 162534474
2-methyl-3-(trifluoromethyl)chromen-4-one
CID 175746490
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
CID 118531178

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one (CID 141140609) is 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one is CCNc1c(C(F)(F)F)c2cc(C)ccc2oc1=O.
What is the InChIKey of 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one?
The InChIKey is AEMKSWUKLJPELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-3-17-11-10(13(14,15)16)8-6-7(2)4-5-9(8)19-12(11)18/h4-6,17H,3H2,1-2H3.
What are the key properties of 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one?
3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one has a molecular weight of 271.24 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 141140609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).