N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C7H13F3N2O2 — CID 104872996

IUPACN-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@H](CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(2-11)12-6(13)3-14-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyYSGJTLQWCOCJLD-RXMQYKEDSA-N
MW214.19 g/mol
LogP0.03
Rot. Bonds5

About N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 104872996) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID104872996
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@H](CN)NC(=O)COCC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-5(2-11)12-6(13)3-14-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)/t5-/m1/s1
InChIKeyYSGJTLQWCOCJLD-RXMQYKEDSA-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-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 104872996) is N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is C[C@H](CN)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YSGJTLQWCOCJLD-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-5(2-11)12-6(13)3-14-4-7(8,9)10/h5H,2-4,11H2,1H3,(H,12,13)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide 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-[(2R)-1-aminopropan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 104872996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).