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

C12H22F3NO2 — CID 60728909

IUPAC1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-7-16-9-11(17)5-3-1-2-4-6-11/h16-17H,1-10H2
InChIKeyOFSFHYWLUGVHBR-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds6

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

1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 60728909) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
PubChem CID60728909
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
SMILESOC1(CNCCOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-7-16-9-11(17)5-3-1-2-4-6-11/h16-17H,1-10H2
InChIKeyOFSFHYWLUGVHBR-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
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-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol (CID 60728909) is 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol is OC1(CNCCOCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is OFSFHYWLUGVHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)10-18-8-7-16-9-11(17)5-3-1-2-4-6-11/h16-17H,1-10H2.
What are the key properties of 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol?
1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60728909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).