[1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine

C13H24F3NO2 — CID 65051373

IUPAC[1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine
SMILESNCC1(OCCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-18-8-5-9-19-12(10-17)6-3-1-2-4-7-12/h1-11,17H2
InChIKeyYWUDERMUVHXQQF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.02
Rot. Bonds7

About [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine

[1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine (PubChem CID 65051373) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine
PubChem CID65051373
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine
SMILESNCC1(OCCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-18-8-5-9-19-12(10-17)6-3-1-2-4-7-12/h1-11,17H2
InChIKeyYWUDERMUVHXQQF-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.02
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 [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine?
The IUPAC name of [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine (CID 65051373) is [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine.
What is the SMILES notation for [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine?
The canonical SMILES for [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine is NCC1(OCCCOCC(F)(F)F)CCCCCC1.
What is the InChIKey of [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine?
The InChIKey is YWUDERMUVHXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c14-13(15,16)11-18-8-5-9-19-12(10-17)6-3-1-2-4-7-12/h1-11,17H2.
What are the key properties of [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine?
[1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine has a molecular weight of 283.33 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2,2,2-trifluoroethoxy)propoxy]cycloheptyl]methanamine is sourced from PubChem (CID 65051373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).