N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide

C9H17F3N2O — CID 115605348

IUPACN-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,3)14-7(15)4-5-13-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyWQJPCDAVZUGNGJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.44
Rot. Bonds4

About N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide

N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 115605348) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide
PubChem CID115605348
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-8(2,3)14-7(15)4-5-13-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15)
InChIKeyWQJPCDAVZUGNGJ-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.44
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

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N-butyl-3-(butylamino)-2,2-difluoropropanamide
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N-[4-[[(3R)-3-aminobutyl]amino]butyl]-2,2,2-trifluoroacetamide
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3-amino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
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N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
CID 63226327
3-(ethylamino)-4,4,4-trifluoro-N-propan-2-ylbutanamide
CID 88589073
2-methyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]propanamide
CID 108934880
4,4,4-trifluoro-3-(methylamino)-N-propan-2-ylbutanamide
CID 123912028
3-[[3-[Bis(1,1,2,2,3,3,3-heptafluoropropyl)amino]-2,2,3,3-tetrafluoropropanoyl]amino]propyl-trimethylazanium;iodide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide (CID 115605348) is N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide is CC(C)(C)NC(=O)CCNCC(F)(F)F.
What is the InChIKey of N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is WQJPCDAVZUGNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8(2,3)14-7(15)4-5-13-6-9(10,11)12/h13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide?
N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 115605348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).