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

C10H18F3NO2 — CID 62906084

IUPAC[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-3-9(7-14)1-4-15-5-2-9/h1-8,14H2
InChIKeyDFBQMQRTVSKPHN-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.71
Rot. Bonds5

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

[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine (PubChem CID 62906084) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine
PubChem CID62906084
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-3-9(7-14)1-4-15-5-2-9/h1-8,14H2
InChIKeyDFBQMQRTVSKPHN-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.71
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 [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine (CID 62906084) is [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine is NCC1(CCOCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine?
The InChIKey is DFBQMQRTVSKPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-6-3-9(7-14)1-4-15-5-2-9/h1-8,14H2.
What are the key properties of [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine?
[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methanamine is sourced from PubChem (CID 62906084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).