N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide

C8H15F3N2O — CID 63226327

IUPACN-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
SMILESCCNC(=O)CCNCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-2-13-7(14)3-5-12-6-4-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyNVEFNNPFHDANGJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.05
Rot. Bonds6

About N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide

N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide (PubChem CID 63226327) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
PubChem CID63226327
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-3-(3,3,3-trifluoropropylamino)propanamide
SMILESCCNC(=O)CCNCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O/c1-2-13-7(14)3-5-12-6-4-8(9,10)11/h12H,2-6H2,1H3,(H,13,14)
InChIKeyNVEFNNPFHDANGJ-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
The IUPAC name of N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide (CID 63226327) is N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide.
What is the SMILES notation for N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
The canonical SMILES for N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide is CCNC(=O)CCNCCC(F)(F)F.
What is the InChIKey of N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
The InChIKey is NVEFNNPFHDANGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-2-13-7(14)3-5-12-6-4-8(9,10)11/h12H,2-6H2,1H3,(H,13,14).
What are the key properties of N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide?
N-ethyl-3-(3,3,3-trifluoropropylamino)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 N-ethyl-3-(3,3,3-trifluoropropylamino)propanamide is sourced from PubChem (CID 63226327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).