[2-(2-fluoroethoxymethyl)cyclohexyl]methanamine

C10H20FNO — CID 80695095

IUPAC[2-(2-fluoroethoxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1COCCF
InChIInChI=1S/C10H20FNO/c11-5-6-13-8-10-4-2-1-3-9(10)7-12/h9-10H,1-8,12H2
InChIKeyLRMRVAIYNHQHPC-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.74
Rot. Bonds5

About [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine

[2-(2-fluoroethoxymethyl)cyclohexyl]methanamine (PubChem CID 80695095) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoroethoxymethyl)cyclohexyl]methanamine
PubChem CID80695095
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[2-(2-fluoroethoxymethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1COCCF
InChIInChI=1S/C10H20FNO/c11-5-6-13-8-10-4-2-1-3-9(10)7-12/h9-10H,1-8,12H2
InChIKeyLRMRVAIYNHQHPC-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine?
The IUPAC name of [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine (CID 80695095) is [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine is NCC1CCCCC1COCCF.
What is the InChIKey of [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine?
The InChIKey is LRMRVAIYNHQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-5-6-13-8-10-4-2-1-3-9(10)7-12/h9-10H,1-8,12H2.
What are the key properties of [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine?
[2-(2-fluoroethoxymethyl)cyclohexyl]methanamine has a molecular weight of 189.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethoxymethyl)cyclohexyl]methanamine is sourced from PubChem (CID 80695095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).