N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide

C7H11F3N2O — CID 15814421

IUPACN-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(CCN)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-2-4-12(5-3-11)6(13)7(8,9)10/h2H,1,3-5,11H2
InChIKeyWTPNBSHLIBLATH-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.52
Rot. Bonds4

About N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide

N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide (PubChem CID 15814421) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
PubChem CID15814421
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
SMILESC=CCN(CCN)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-2-4-12(5-3-11)6(13)7(8,9)10/h2H,1,3-5,11H2
InChIKeyWTPNBSHLIBLATH-UHFFFAOYSA-N
XLogP0.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-methylprop-2-enyl)-N-prop-2-enylacetamide
CID 58683581
N-[2-(2-bromo-5-chlorophenyl)ethyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 165145469
N-(2-aminoethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
CID 174845848
N-(3-aminopropyl)-N-[2-[3-aminopropyl-(2,2,2-trifluoroacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 157072030
2,2,2-trifluoro-N-[2-(4-fluoro-2-iodophenyl)ethyl]-N-prop-2-enylacetamide
CID 24773561
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
N,N-bis(prop-2-enyl)carbamoyl fluoride
CID 21354913
2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 115776126
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
7-[bis(prop-2-enyl)amino]-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoic acid
CID 21156345

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
The IUPAC name of N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide (CID 15814421) is N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide is C=CCN(CCN)C(=O)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
The InChIKey is WTPNBSHLIBLATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-2-4-12(5-3-11)6(13)7(8,9)10/h2H,1,3-5,11H2.
What are the key properties of N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide?
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide has a molecular weight of 196.17 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide is sourced from PubChem (CID 15814421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).