1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol

C13H24F3NO2 — CID 65123402

IUPAC1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-19-9-5-8-17-10-12(18)6-3-1-2-4-7-12/h17-18H,1-11H2
InChIKeyGNZFFIKRQFJGBE-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds7

About 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol

1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol (PubChem CID 65123402) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol
PubChem CID65123402
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C13H24F3NO2/c14-13(15,16)11-19-9-5-8-17-10-12(18)6-3-1-2-4-7-12/h17-18H,1-11H2
InChIKeyGNZFFIKRQFJGBE-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
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)propylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol (CID 65123402) is 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol is OC1(CNCCCOCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol?
The InChIKey is GNZFFIKRQFJGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c14-13(15,16)11-19-9-5-8-17-10-12(18)6-3-1-2-4-7-12/h17-18H,1-11H2.
What are the key properties of 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol?
1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).