1-(2,2,2-trifluoroethylamino)ethyl acetate

C6H10F3NO2 — CID 174883631

IUPAC1-(2,2,2-trifluoroethylamino)ethyl acetate
SMILESCC(=O)OC(C)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(12-5(2)11)10-3-6(7,8)9/h4,10H,3H2,1-2H3
InChIKeyLWVYGMBZXRPAPE-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.05
Rot. Bonds3

About 1-(2,2,2-trifluoroethylamino)ethyl acetate

1-(2,2,2-trifluoroethylamino)ethyl acetate (PubChem CID 174883631) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)ethyl acetate.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)ethyl acetate
PubChem CID174883631
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name1-(2,2,2-trifluoroethylamino)ethyl acetate
SMILESCC(=O)OC(C)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(12-5(2)11)10-3-6(7,8)9/h4,10H,3H2,1-2H3
InChIKeyLWVYGMBZXRPAPE-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)ethyl acetate?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)ethyl acetate (CID 174883631) is 1-(2,2,2-trifluoroethylamino)ethyl acetate.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)ethyl acetate?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)ethyl acetate is CC(=O)OC(C)NCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)ethyl acetate?
The InChIKey is LWVYGMBZXRPAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(12-5(2)11)10-3-6(7,8)9/h4,10H,3H2,1-2H3.
What are the key properties of 1-(2,2,2-trifluoroethylamino)ethyl acetate?
1-(2,2,2-trifluoroethylamino)ethyl acetate has a molecular weight of 185.14 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)ethyl acetate is sourced from PubChem (CID 174883631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).