6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

C10H20F3NO2 — CID 103148154

IUPAC6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCOCCC(C)C(N)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(3-5-15-2)9(14)4-6-16-7-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyRNKCTQFELLCOAF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.96
Rot. Bonds8

About 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 103148154) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID103148154
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCOCCC(C)C(N)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(3-5-15-2)9(14)4-6-16-7-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyRNKCTQFELLCOAF-UHFFFAOYSA-N
XLogP1.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.96
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 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 103148154) is 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is COCCC(C)C(N)CCOCC(F)(F)F.
What is the InChIKey of 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is RNKCTQFELLCOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(3-5-15-2)9(14)4-6-16-7-10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 243.27 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103148154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).