N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide

C7H13F3N2O — CID 62657279

IUPACN-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide
SMILESCCNCCNC(=O)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-11-3-4-12-6(13)5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyPFRKNODLHKTGEB-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.66
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide

N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide (PubChem CID 62657279) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide
PubChem CID62657279
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide
SMILESCCNCCNC(=O)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-11-3-4-12-6(13)5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyPFRKNODLHKTGEB-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.66
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

3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
CID 62659177
2-acetamido-N-[2-(ethylamino)ethyl]acetamide
CID 62657470
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
N-[2-(ethylamino)ethyl]-5,5-dimethylhexanamide;hydrochloride
CID 119509534
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
CID 106153392

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide (CID 62657279) is N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide is CCNCCNC(=O)CC(F)(F)F.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide?
The InChIKey is PFRKNODLHKTGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-11-3-4-12-6(13)5-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide?
N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide has a molecular weight of 198.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 62657279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).