N-ethylethanamine;4-(trifluoromethyl)chromen-2-one

C14H16F3NO2 — CID 87289894

IUPACN-ethylethanamine;4-(trifluoromethyl)chromen-2-one
SMILESCCNCC.O=c1cc(C(F)(F)F)c2ccccc2o1
InChIInChI=1S/C10H5F3O2.C4H11N/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8;1-3-5-4-2/h1-5H;5H,3-4H2,1-2H3
InChIKeySNRIXGZEXBGVOP-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.43
Rot. Bonds2

About N-ethylethanamine;4-(trifluoromethyl)chromen-2-one

N-ethylethanamine;4-(trifluoromethyl)chromen-2-one (PubChem CID 87289894) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-ethylethanamine;4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound NameN-ethylethanamine;4-(trifluoromethyl)chromen-2-one
PubChem CID87289894
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-ethylethanamine;4-(trifluoromethyl)chromen-2-one
SMILESCCNCC.O=c1cc(C(F)(F)F)c2ccccc2o1
InChIInChI=1S/C10H5F3O2.C4H11N/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8;1-3-5-4-2/h1-5H;5H,3-4H2,1-2H3
InChIKeySNRIXGZEXBGVOP-UHFFFAOYSA-N
XLogP3.43
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;4-(trifluoromethyl)chromen-2-one?
The IUPAC name of N-ethylethanamine;4-(trifluoromethyl)chromen-2-one (CID 87289894) is N-ethylethanamine;4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for N-ethylethanamine;4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for N-ethylethanamine;4-(trifluoromethyl)chromen-2-one is CCNCC.O=c1cc(C(F)(F)F)c2ccccc2o1.
What is the InChIKey of N-ethylethanamine;4-(trifluoromethyl)chromen-2-one?
The InChIKey is SNRIXGZEXBGVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2.C4H11N/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8;1-3-5-4-2/h1-5H;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;4-(trifluoromethyl)chromen-2-one?
N-ethylethanamine;4-(trifluoromethyl)chromen-2-one has a molecular weight of 287.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 87289894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).