2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine

C10H18F3NO2 — CID 83033415

IUPAC2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine
SMILESCC1(C)CC(NCCOC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3NO2/c1-9(2)7-8(3-5-15-9)14-4-6-16-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyNQZBONOEURBAEF-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.07
Rot. Bonds4

About 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine

2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine (PubChem CID 83033415) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine
PubChem CID83033415
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine
SMILESCC1(C)CC(NCCOC(F)(F)F)CCO1
InChIInChI=1S/C10H18F3NO2/c1-9(2)7-8(3-5-15-9)14-4-6-16-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyNQZBONOEURBAEF-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.07
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 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine (CID 83033415) is 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine is CC1(C)CC(NCCOC(F)(F)F)CCO1.
What is the InChIKey of 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine?
The InChIKey is NQZBONOEURBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2)7-8(3-5-15-9)14-4-6-16-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine?
2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine has a molecular weight of 241.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 83033415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).