pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate

C11H20F3NO2 — CID 90473706

IUPACpentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCCCC(C)OC(=O)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-4-6-9(3)17-10(16)7-15(5-2)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyFCPLIHGTQKCPMB-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.60
Rot. Bonds7

About pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate

pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 90473706) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Namepentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
PubChem CID90473706
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Namepentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCCCC(C)OC(=O)CN(CC)CC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c1-4-6-9(3)17-10(16)7-15(5-2)8-11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyFCPLIHGTQKCPMB-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate (CID 90473706) is pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate is CCCC(C)OC(=O)CN(CC)CC(F)(F)F.
What is the InChIKey of pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is FCPLIHGTQKCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-4-6-9(3)17-10(16)7-15(5-2)8-11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate?
pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 255.28 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 2-[ethyl(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 90473706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).