N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride

C5H10ClF3N2O — CID 71752754

IUPACN-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O.ClH/c6-5(7,8)4(11)10-3-1-2-9;/h1-3,9H2,(H,10,11);1H
InChIKeyQTNUPWKEDQOSGU-UHFFFAOYSA-N
MW206.59 g/mol
LogP0.44
Rot. Bonds3

About N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride

N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride (PubChem CID 71752754) has the molecular formula C5H10ClF3N2O and a molecular weight of 206.59 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride
PubChem CID71752754
Molecular FormulaC5H10ClF3N2O
Molecular Weight206.59 g/mol
Exact Mass206.04
IUPAC NameN-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride
SMILESCl.NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C5H9F3N2O.ClH/c6-5(7,8)4(11)10-3-1-2-9;/h1-3,9H2,(H,10,11);1H
InChIKeyQTNUPWKEDQOSGU-UHFFFAOYSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.59
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoro-N-[4-(2,2,2-trifluoro-acetylamino)-butyl]-acetamide
CID 581000
2,2,3,3-Tetrafluoro-N-[3-(2,2,3,3-tetrafluoro-propionylamino)-propyl]-propionamide
CID 648167
N-Butyltrifluoroacetamide
CID 283366
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
2,2,2-trifluoro-N-[4-[3-[(2,2,2-trifluoroacetyl)amino]propylamino]butyl]acetamide
CID 389609
N-[(azetidin-3-yl)methyl]-2,2,2-trifluoroacetamide hydrochloride
CID 23051792
2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (1:1)
CID 42913698
2-amino-N-(3,3,3-trifluoropropyl)acetamide hydrochloride
CID 121553486
N-(2-aminoethyl)-2,2-difluoroacetamide hydrochloride
CID 44592974
N,N'-(Iminodi-3,1-propanediyl)bis[2,2,2-trifluoroacetamide]
CID 11676468
Trifluoroacetylspermine
CID 22242696

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride (CID 71752754) is N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride is Cl.NCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride?
The InChIKey is QTNUPWKEDQOSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O.ClH/c6-5(7,8)4(11)10-3-1-2-9;/h1-3,9H2,(H,10,11);1H.
What are the key properties of N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride?
N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride has a molecular weight of 206.59 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,2,2-trifluoroacetamide;hydrochloride is sourced from PubChem (CID 71752754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).