[4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine

C11H20F3NO2 — CID 62906601

IUPAC[4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-5-1-2-10(8-15)3-6-16-7-4-10/h1-9,15H2
InChIKeyGTMXGSUJHZWERP-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds6

About [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine

[4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine (PubChem CID 62906601) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine
PubChem CID62906601
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-5-1-2-10(8-15)3-6-16-7-4-10/h1-9,15H2
InChIKeyGTMXGSUJHZWERP-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine 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 [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine (CID 62906601) is [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine is NCC1(CCCOCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine?
The InChIKey is GTMXGSUJHZWERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-5-1-2-10(8-15)3-6-16-7-4-10/h1-9,15H2.
What are the key properties of [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine?
[4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine has a molecular weight of 255.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62906601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).