2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine

C9H19F3N2O2 — CID 155751803

IUPAC2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine
SMILESCCCOCCOCCNC(N)C(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-2-4-15-6-7-16-5-3-14-8(13)9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyKCCSBZLJKGXNMU-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.87
Rot. Bonds9

About 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine

2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine (PubChem CID 155751803) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine
PubChem CID155751803
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine
SMILESCCCOCCOCCNC(N)C(F)(F)F
InChIInChI=1S/C9H19F3N2O2/c1-2-4-15-6-7-16-5-3-14-8(13)9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyKCCSBZLJKGXNMU-UHFFFAOYSA-N
XLogP0.87
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine 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 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine?
The IUPAC name of 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine (CID 155751803) is 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine?
The canonical SMILES for 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine is CCCOCCOCCNC(N)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine?
The InChIKey is KCCSBZLJKGXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-2-4-15-6-7-16-5-3-14-8(13)9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine?
2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine has a molecular weight of 244.26 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 155751803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).