[1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine

C12H24FNO — CID 80699286

IUPAC[1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCF)CC1
InChIInChI=1S/C12H24FNO/c1-10(2)11-3-5-12(9-14,6-4-11)15-8-7-13/h10-11H,3-9,14H2,1-2H3
InChIKeyFEBQNHHJZKHOOD-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.52
Rot. Bonds5

About [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine

[1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 80699286) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID80699286
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name[1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCF)CC1
InChIInChI=1S/C12H24FNO/c1-10(2)11-3-5-12(9-14,6-4-11)15-8-7-13/h10-11H,3-9,14H2,1-2H3
InChIKeyFEBQNHHJZKHOOD-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine (CID 80699286) is [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OCCF)CC1.
What is the InChIKey of [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is FEBQNHHJZKHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(2)11-3-5-12(9-14,6-4-11)15-8-7-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine?
[1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 217.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 80699286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).