N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide

C13H14F3NO2 — CID 76585450

IUPACN-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
SMILESCCc1cccc2c1CC(NC(=O)C(F)(F)F)CO2
InChIInChI=1S/C13H14F3NO2/c1-2-8-4-3-5-11-10(8)6-9(7-19-11)17-12(18)13(14,15)16/h3-5,9H,2,6-7H2,1H3,(H,17,18)
InChIKeyNGTCNQNLDJIBLY-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.23
Rot. Bonds2

About N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide

N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 76585450) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
PubChem CID76585450
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC NameN-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide
SMILESCCc1cccc2c1CC(NC(=O)C(F)(F)F)CO2
InChIInChI=1S/C13H14F3NO2/c1-2-8-4-3-5-11-10(8)6-9(7-19-11)17-12(18)13(14,15)16/h3-5,9H,2,6-7H2,1H3,(H,17,18)
InChIKeyNGTCNQNLDJIBLY-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide (CID 76585450) is N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide is CCc1cccc2c1CC(NC(=O)C(F)(F)F)CO2.
What is the InChIKey of N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is NGTCNQNLDJIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-8-4-3-5-11-10(8)6-9(7-19-11)17-12(18)13(14,15)16/h3-5,9H,2,6-7H2,1H3,(H,17,18).
What are the key properties of N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide?
N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 273.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3,4-dihydro-2H-chromen-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 76585450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).