N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide

C9H17F3N2O — CID 115519146

IUPACN-ethyl-2-(5,5,5-trifluoropentylamino)acetamide
SMILESCCNC(=O)CNCCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-2-14-8(15)7-13-6-4-3-5-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyKDNPCAXTWIOOMT-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.44
Rot. Bonds7

About N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide

N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide (PubChem CID 115519146) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(5,5,5-trifluoropentylamino)acetamide
PubChem CID115519146
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-ethyl-2-(5,5,5-trifluoropentylamino)acetamide
SMILESCCNC(=O)CNCCCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-2-14-8(15)7-13-6-4-3-5-9(10,11)12/h13H,2-7H2,1H3,(H,14,15)
InChIKeyKDNPCAXTWIOOMT-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
N-ethyl-2-(pentylamino)acetamide
CID 28569032
N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 116615399
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-(5,5,5-trifluoropentyl)butanamide
CID 115491572
N-ethyl-2-(4-hydroxypentylamino)acetamide
CID 106131847
2-(4-hydroxybutylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106841650
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813
N-pentyl-2-(pentylamino)acetamide
CID 109005932
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811
N-(4-methoxyphenyl)-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide?
The IUPAC name of N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide (CID 115519146) is N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide.
What is the SMILES notation for N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide?
The canonical SMILES for N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide is CCNC(=O)CNCCCCC(F)(F)F.
What is the InChIKey of N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide?
The InChIKey is KDNPCAXTWIOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-14-8(15)7-13-6-4-3-5-9(10,11)12/h13H,2-7H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide?
N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide is sourced from PubChem (CID 115519146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).