3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide

C8H14F4N2O — CID 106291636

IUPAC3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCCNCCC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O/c1-2-13-4-3-6(15)14-5-8(11,12)7(9)10/h7,13H,2-5H2,1H3,(H,14,15)
InChIKeyLMHGNXWDJYXYGK-UHFFFAOYSA-N
MW230.20 g/mol
LogP1.00
Rot. Bonds7

About 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide

3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide (PubChem CID 106291636) has the molecular formula C8H14F4N2O and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
PubChem CID106291636
Molecular FormulaC8H14F4N2O
Molecular Weight230.20 g/mol
Exact Mass230.10
IUPAC Name3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
SMILESCCNCCC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O/c1-2-13-4-3-6(15)14-5-8(11,12)7(9)10/h7,13H,2-5H2,1H3,(H,14,15)
InChIKeyLMHGNXWDJYXYGK-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291856
4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295708
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
4-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294940
1-ethyl-1-methyl-3-(2,2,3,3-tetrafluoropropyl)urea
CID 106291111
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide (CID 106291636) is 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide is CCNCCC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
The InChIKey is LMHGNXWDJYXYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2O/c1-2-13-4-3-6(15)14-5-8(11,12)7(9)10/h7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide?
3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide has a molecular weight of 230.20 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide is sourced from PubChem (CID 106291636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).