2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

C11H20F3NO — CID 83033348

IUPAC2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCCC1(CC)CC(NCC(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NO/c1-3-10(4-2)7-9(5-6-16-10)15-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyKTUIDEYTAAEOJN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds4

About 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine

2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (PubChem CID 83033348) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
PubChem CID83033348
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
SMILESCCC1(CC)CC(NCC(F)(F)F)CCO1
InChIInChI=1S/C11H20F3NO/c1-3-10(4-2)7-9(5-6-16-10)15-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyKTUIDEYTAAEOJN-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
CID 116789249
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
N-carbamoyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032833
2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
CID 83032578
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
2-[(2,2-diethyloxan-4-yl)amino]-1-morpholin-4-ylethanone
CID 83033676
2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028310
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine (CID 83033348) is 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is CCC1(CC)CC(NCC(F)(F)F)CCO1.
What is the InChIKey of 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
The InChIKey is KTUIDEYTAAEOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-10(4-2)7-9(5-6-16-10)15-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine?
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine is sourced from PubChem (CID 83033348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).