N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide

C7H13F3N2O2 — CID 156761445

IUPACN-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCCOCC(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-2-14-4-5(3-11)12-6(13)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyUCWIVRDYJJUSHB-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.03
Rot. Bonds5

About N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide

N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 156761445) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
PubChem CID156761445
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide
SMILESCCOCC(CN)NC(=O)C(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-2-14-4-5(3-11)12-6(13)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)
InChIKeyUCWIVRDYJJUSHB-UHFFFAOYSA-N
XLogP0.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide (CID 156761445) is N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide is CCOCC(CN)NC(=O)C(F)(F)F.
What is the InChIKey of N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is UCWIVRDYJJUSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-2-14-4-5(3-11)12-6(13)7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13).
What are the key properties of N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide?
N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 214.19 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-ethoxypropan-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156761445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).