1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine

C9H17F4NO2 — CID 155582675

IUPAC1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
SMILESCCCOCCOCCNC(F)C(F)(F)F
InChIInChI=1S/C9H17F4NO2/c1-2-4-15-6-7-16-5-3-14-8(10)9(11,12)13/h8,14H,2-7H2,1H3
InChIKeyNPHXCWNPKDGDHR-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.88
Rot. Bonds9

About 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine

1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine (PubChem CID 155582675) has the molecular formula C9H17F4NO2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
PubChem CID155582675
Molecular FormulaC9H17F4NO2
Molecular Weight247.23 g/mol
Exact Mass247.12
IUPAC Name1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
SMILESCCCOCCOCCNC(F)C(F)(F)F
InChIInChI=1S/C9H17F4NO2/c1-2-4-15-6-7-16-5-3-14-8(10)9(11,12)13/h8,14H,2-7H2,1H3
InChIKeyNPHXCWNPKDGDHR-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The IUPAC name of 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine (CID 155582675) is 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine.
What is the SMILES notation for 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The canonical SMILES for 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine is CCCOCCOCCNC(F)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
The InChIKey is NPHXCWNPKDGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2/c1-2-4-15-6-7-16-5-3-14-8(10)9(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine?
1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine has a molecular weight of 247.23 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine is sourced from PubChem (CID 155582675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).