2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine

C9H16F3NO2 — CID 106938954

IUPAC2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)5-14-6-15-8-4-2-1-3-7(8)13/h7-8H,1-6,13H2
InChIKeyDGCIEKHIQFTFQO-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.81
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine

2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine (PubChem CID 106938954) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine
PubChem CID106938954
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine
SMILESNC1CCCCC1OCOCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)5-14-6-15-8-4-2-1-3-7(8)13/h7-8H,1-6,13H2
InChIKeyDGCIEKHIQFTFQO-UHFFFAOYSA-N
XLogP1.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine (CID 106938954) is 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine is NC1CCCCC1OCOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine?
The InChIKey is DGCIEKHIQFTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)5-14-6-15-8-4-2-1-3-7(8)13/h7-8H,1-6,13H2.
What are the key properties of 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine?
2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethoxy)cyclohexan-1-amine is sourced from PubChem (CID 106938954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).