3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine

C14H26F3NO4 — CID 155176456

IUPAC3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine
SMILESC=C(NCCOCCOCCOCCOCCC)C(F)(F)F
InChIInChI=1S/C14H26F3NO4/c1-3-5-19-7-9-21-11-12-22-10-8-20-6-4-18-13(2)14(15,16)17/h18H,2-12H2,1H3
InChIKeyHRGOZXFPNMZWGT-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.13
Rot. Bonds15

About 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine

3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine (PubChem CID 155176456) has the molecular formula C14H26F3NO4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine
PubChem CID155176456
Molecular FormulaC14H26F3NO4
Molecular Weight329.36 g/mol
Exact Mass329.18
IUPAC Name3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine
SMILESC=C(NCCOCCOCCOCCOCCC)C(F)(F)F
InChIInChI=1S/C14H26F3NO4/c1-3-5-19-7-9-21-11-12-22-10-8-20-6-4-18-13(2)14(15,16)17/h18H,2-12H2,1H3
InChIKeyHRGOZXFPNMZWGT-UHFFFAOYSA-N
XLogP2.13
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine 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 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine?
The IUPAC name of 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine (CID 155176456) is 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine is C=C(NCCOCCOCCOCCOCCC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine?
The InChIKey is HRGOZXFPNMZWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO4/c1-3-5-19-7-9-21-11-12-22-10-8-20-6-4-18-13(2)14(15,16)17/h18H,2-12H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine?
3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine has a molecular weight of 329.36 g/mol, XLogP of 2.13, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]prop-1-en-2-amine is sourced from PubChem (CID 155176456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).