2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine

C11H20F3NO — CID 66204160

IUPAC2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOC(C)(C)C1
InChIInChI=1S/C11H20F3NO/c1-4-6-15-10(11(12,13)14)5-7-16-9(2,3)8-10/h15H,4-8H2,1-3H3
InChIKeyZODWFFVGHCUQJR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds3

About 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine

2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66204160) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66204160
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOC(C)(C)C1
InChIInChI=1S/C11H20F3NO/c1-4-6-15-10(11(12,13)14)5-7-16-9(2,3)8-10/h15H,4-8H2,1-3H3
InChIKeyZODWFFVGHCUQJR-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine (CID 66204160) is 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine is CCCNC1(C(F)(F)F)CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is ZODWFFVGHCUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-4-6-15-10(11(12,13)14)5-7-16-9(2,3)8-10/h15H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66204160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).