3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C9H16F3NO2 — CID 82721769

IUPAC3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCOC1CCCC(NOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2/c1-14-8-4-2-3-7(5-8)13-15-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyJRLMMNNMFKADPY-UHFFFAOYSA-N
MW227.23 g/mol
LogP2.03
Rot. Bonds4

About 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82721769) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82721769
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCOC1CCCC(NOCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO2/c1-14-8-4-2-3-7(5-8)13-15-6-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyJRLMMNNMFKADPY-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82721769) is 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is COC1CCCC(NOCC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is JRLMMNNMFKADPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-14-8-4-2-3-7(5-8)13-15-6-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 227.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82721769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).