2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H20F3NO — CID 58303698

IUPAC2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OCC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)15-7-9(3,4)5-14-6-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyYRTQQJGLVYNYEB-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds6

About 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 58303698) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID58303698
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OCC(C)(C)CNCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)15-7-9(3,4)5-14-6-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyYRTQQJGLVYNYEB-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 58303698) is 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)OCC(C)(C)CNCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is YRTQQJGLVYNYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(2)15-7-9(3,4)5-14-6-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 58303698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).