6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C12H24F3NO2 — CID 103148474

IUPAC6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCNC(CCOCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C12H24F3NO2/c1-11(2,17-4)7-5-10(16-3)6-8-18-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyPXRYVESCADUIDB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds9

About 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148474) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148474
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCNC(CCOCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C12H24F3NO2/c1-11(2,17-4)7-5-10(16-3)6-8-18-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyPXRYVESCADUIDB-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
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-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148474) is 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CNC(CCOCC(F)(F)F)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is PXRYVESCADUIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-11(2,17-4)7-5-10(16-3)6-8-18-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 271.32 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).