2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

C9H16F3NO2 — CID 114535331

IUPAC2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1(N)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7-8(13,3-5-15-7)2-4-14-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyOQQODPJABKFOQM-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds4

About 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine

2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (PubChem CID 114535331) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
PubChem CID114535331
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
SMILESCC1OCCC1(N)CCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7-8(13,3-5-15-7)2-4-14-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyOQQODPJABKFOQM-UHFFFAOYSA-N
XLogP1.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
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 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The IUPAC name of 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine (CID 114535331) is 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine.
What is the SMILES notation for 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The canonical SMILES for 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is CC1OCCC1(N)CCOCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
The InChIKey is OQQODPJABKFOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7-8(13,3-5-15-7)2-4-14-6-9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine?
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine has a molecular weight of 227.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine is sourced from PubChem (CID 114535331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).