5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

C10H20F3NO2 — CID 103216587

IUPAC5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCOC(C)(C)CCC(N)COCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,15-3)5-4-8(14)6-16-7-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyJQAVSFUMASKNDY-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds7

About 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine

5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 103216587) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID103216587
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCOC(C)(C)CCC(N)COCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,15-3)5-4-8(14)6-16-7-10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyJQAVSFUMASKNDY-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 103216587) is 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is COC(C)(C)CCC(N)COCC(F)(F)F.
What is the InChIKey of 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is JQAVSFUMASKNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2,15-3)5-4-8(14)6-16-7-10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine?
5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 243.27 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 103216587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).