4-(4,4,4-trifluorobutylamino)butanamide

C8H15F3N2O — CID 115513564

IUPAC4-(4,4,4-trifluorobutylamino)butanamide
SMILESNC(=O)CCCNCCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)4-2-6-13-5-1-3-7(12)14/h13H,1-6H2,(H2,12,14)
InChIKeyNBKHQPHPUINXSG-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.18
Rot. Bonds7

About 4-(4,4,4-trifluorobutylamino)butanamide

4-(4,4,4-trifluorobutylamino)butanamide (PubChem CID 115513564) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutylamino)butanamide.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutylamino)butanamide
PubChem CID115513564
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name4-(4,4,4-trifluorobutylamino)butanamide
SMILESNC(=O)CCCNCCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)4-2-6-13-5-1-3-7(12)14/h13H,1-6H2,(H2,12,14)
InChIKeyNBKHQPHPUINXSG-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.18
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'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
2-amino-3-(4,4,4-trifluorobutylamino)propanamide
CID 103261924
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
4-(propylamino)butanamide
CID 21468794
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
CID 63900234
ethyl 6-(5,5,5-trifluoropentylamino)hexanoate
CID 115518858
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
(2S)-5-amino-5-oxo-2-(4,4,4-trifluorobutylcarbamoylamino)pentanoic acid
CID 115521247
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutylamino)butanamide?
The IUPAC name of 4-(4,4,4-trifluorobutylamino)butanamide (CID 115513564) is 4-(4,4,4-trifluorobutylamino)butanamide.
What is the SMILES notation for 4-(4,4,4-trifluorobutylamino)butanamide?
The canonical SMILES for 4-(4,4,4-trifluorobutylamino)butanamide is NC(=O)CCCNCCCC(F)(F)F.
What is the InChIKey of 4-(4,4,4-trifluorobutylamino)butanamide?
The InChIKey is NBKHQPHPUINXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)4-2-6-13-5-1-3-7(12)14/h13H,1-6H2,(H2,12,14).
What are the key properties of 4-(4,4,4-trifluorobutylamino)butanamide?
4-(4,4,4-trifluorobutylamino)butanamide has a molecular weight of 212.21 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutylamino)butanamide is sourced from PubChem (CID 115513564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).