N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine

C10H20F3NO2 — CID 62342592

IUPACN-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2)14-4-7-15-5-3-6-16-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyPZZFEPOSIADHCD-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds9

About N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine

N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine (PubChem CID 62342592) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine
PubChem CID62342592
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC NameN-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2)14-4-7-15-5-3-6-16-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyPZZFEPOSIADHCD-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-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 N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine (CID 62342592) is N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine is CC(C)NCCOCCCOCC(F)(F)F.
What is the InChIKey of N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine?
The InChIKey is PZZFEPOSIADHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2)14-4-7-15-5-3-6-16-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine?
N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine has a molecular weight of 243.27 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2,2-trifluoroethoxy)propoxy]ethyl]propan-2-amine is sourced from PubChem (CID 62342592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).