3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide

C8H15F3N2O — CID 62659177

IUPAC3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
SMILESCCCNCCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-2-3-12-4-5-13-7(14)6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyALWSPRRIHZSSJJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds6

About 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide

3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide (PubChem CID 62659177) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
PubChem CID62659177
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide
SMILESCCCNCCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-2-3-12-4-5-13-7(14)6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyALWSPRRIHZSSJJ-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.05
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

N-[2-(ethylamino)ethyl]-3,3,3-trifluoropropanamide
CID 62657279
3-methoxy-3-methyl-N-[2-(propylamino)ethyl]butanamide
CID 103021411
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065
N-[2-[2-(hexanoylamino)ethylamino]ethyl]hexanamide
CID 101386033
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-(5-amino-4-methylpentyl)-3,3,3-trifluoropropanamide
CID 106153392
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide (CID 62659177) is 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide is CCCNCCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide?
The InChIKey is ALWSPRRIHZSSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-2-3-12-4-5-13-7(14)6-8(9,10)11/h12H,2-6H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide?
3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide has a molecular weight of 212.21 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 62659177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).