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

C11H20F3NO2 — CID 55150867

IUPAC[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCCOC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-6-2-4-10(7-15)3-1-5-16-8-10/h1-9,15H2
InChIKeyGIQGXHAWIPKVLT-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.10
Rot. Bonds6

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

[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine (PubChem CID 55150867) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine
PubChem CID55150867
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine
SMILESNCC1(CCCOCC(F)(F)F)CCCOC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-17-6-2-4-10(7-15)3-1-5-16-8-10/h1-9,15H2
InChIKeyGIQGXHAWIPKVLT-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'}

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine (CID 55150867) is [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine is NCC1(CCCOCC(F)(F)F)CCCOC1.
What is the InChIKey of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine?
The InChIKey is GIQGXHAWIPKVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-17-6-2-4-10(7-15)3-1-5-16-8-10/h1-9,15H2.
What are the key properties of [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine?
[3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-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 [3-[3-(2,2,2-trifluoroethoxy)propyl]oxan-3-yl]methanamine is sourced from PubChem (CID 55150867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).