N-(2-aminopropyl)-2,2,2-trifluoroacetamide

C5H9F3N2O — CID 12655959

IUPACN-(2-aminopropyl)-2,2,2-trifluoroacetamide
SMILESCC(N)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-3(9)2-10-4(11)5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyOONGGRJKKUZEPO-UHFFFAOYSA-N
MW170.13 g/mol
LogP0.01
Rot. Bonds2

About N-(2-aminopropyl)-2,2,2-trifluoroacetamide

N-(2-aminopropyl)-2,2,2-trifluoroacetamide (PubChem CID 12655959) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is N-(2-aminopropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-2,2,2-trifluoroacetamide
PubChem CID12655959
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC NameN-(2-aminopropyl)-2,2,2-trifluoroacetamide
SMILESCC(N)CNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O/c1-3(9)2-10-4(11)5(6,7)8/h3H,2,9H2,1H3,(H,10,11)
InChIKeyOONGGRJKKUZEPO-UHFFFAOYSA-N
XLogP0.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoro-N-isopropylacetamide
CID 2305253
2-Amino-N-isopropylacetamide
CID 533849
N-Butyltrifluoroacetamide
CID 283366
2-Amino-N-ethylpropanamide
CID 541608
2,2,2-Trifluoro-n-propylacetamide
CID 580996
N-(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 229755
3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 2760698
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
CID 42614570
2-amino-N-propylpropanamide
CID 4962196
(r)-2-Amino-n-ethyl-propanamide
CID 7128991
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
N,N'-(Propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)
CID 4147050

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-aminopropyl)-2,2,2-trifluoroacetamide (CID 12655959) is N-(2-aminopropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-aminopropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-aminopropyl)-2,2,2-trifluoroacetamide is CC(N)CNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminopropyl)-2,2,2-trifluoroacetamide?
The InChIKey is OONGGRJKKUZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O/c1-3(9)2-10-4(11)5(6,7)8/h3H,2,9H2,1H3,(H,10,11).
What are the key properties of N-(2-aminopropyl)-2,2,2-trifluoroacetamide?
N-(2-aminopropyl)-2,2,2-trifluoroacetamide has a molecular weight of 170.13 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 12655959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).