N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride

C6H10ClF3N2O — CID 15239204

IUPACN-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride
SMILESCl.NCCNC(=O)CC(F)=C(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-4(6(8)9)3-5(12)11-2-1-10;/h1-3,10H2,(H,11,12);1H
InChIKeyXKSMYIMEBBHEDT-UHFFFAOYSA-N
MW218.61 g/mol
LogP0.95
Rot. Bonds4

About N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride

N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride (PubChem CID 15239204) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride
PubChem CID15239204
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC NameN-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride
SMILESCl.NCCNC(=O)CC(F)=C(F)F
InChIInChI=1S/C6H9F3N2O.ClH/c7-4(6(8)9)3-5(12)11-2-1-10;/h1-3,10H2,(H,11,12);1H
InChIKeyXKSMYIMEBBHEDT-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
5-(2-aminoethylamino)-5-oxopentanoic acid;hydrochloride
CID 172550170
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-(2-aminoethyl)-4-methyl-4-sulfanylpentanamide
CID 155135234
N-(2-aminoethyl)-2-bromo-2,2-difluoroacetamide;hydrochloride
CID 131677187
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879
2-aminoethylcarbamic acid;ethane-1,2-diamine
CID 173123668
N-(2-aminoethyl)pent-4-enamide
CID 62679699
2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569490
N-(2-aminoethyl)pent-4-ynamide
CID 103840698

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride (CID 15239204) is N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride is Cl.NCCNC(=O)CC(F)=C(F)F.
What is the InChIKey of N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride?
The InChIKey is XKSMYIMEBBHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c7-4(6(8)9)3-5(12)11-2-1-10;/h1-3,10H2,(H,11,12);1H.
What are the key properties of N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride?
N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride is sourced from PubChem (CID 15239204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).