N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide

C9H17F3N2O2 — CID 106308033

IUPACN-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
SMILESNCCOCCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)3-2-8(15)14-5-1-6-16-7-4-13/h1-7,13H2,(H,14,15)
InChIKeyKSGWZALFOCNJRH-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.81
Rot. Bonds8

About N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide

N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide (PubChem CID 106308033) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
PubChem CID106308033
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
SMILESNCCOCCCNC(=O)CCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)3-2-8(15)14-5-1-6-16-7-4-13/h1-7,13H2,(H,14,15)
InChIKeyKSGWZALFOCNJRH-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
N-[2-(2-aminoethoxy)ethyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide;hydrochloride
CID 156792788
N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
CID 131949460
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
4,4,4-trifluoro-N-(3-iodopropyl)butanamide
CID 114504286
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
N-[2-(2-aminoethoxy)ethyl]-2-bromoacetamide;2,2,2-trifluoroacetic acid
CID 154803622
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5,5-dimethyl-4-oxohexanamide
CID 143771941

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide (CID 106308033) is N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide is NCCOCCCNC(=O)CCC(F)(F)F.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide?
The InChIKey is KSGWZALFOCNJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c10-9(11,12)3-2-8(15)14-5-1-6-16-7-4-13/h1-7,13H2,(H,14,15).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide?
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide has a molecular weight of 242.24 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 106308033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).