1-(3-ethoxycyclohexyl)-3-fluoroazetidine

C11H20FNO — CID 163258370

IUPAC1-(3-ethoxycyclohexyl)-3-fluoroazetidine
SMILESCCOC1CCCC(N2CC(F)C2)C1
InChIInChI=1S/C11H20FNO/c1-2-14-11-5-3-4-10(6-11)13-7-9(12)8-13/h9-11H,2-8H2,1H3
InChIKeyDXLIUTWHRHRPED-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.99
Rot. Bonds3

About 1-(3-ethoxycyclohexyl)-3-fluoroazetidine

1-(3-ethoxycyclohexyl)-3-fluoroazetidine (PubChem CID 163258370) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(3-ethoxycyclohexyl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(3-ethoxycyclohexyl)-3-fluoroazetidine
PubChem CID163258370
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(3-ethoxycyclohexyl)-3-fluoroazetidine
SMILESCCOC1CCCC(N2CC(F)C2)C1
InChIInChI=1S/C11H20FNO/c1-2-14-11-5-3-4-10(6-11)13-7-9(12)8-13/h9-11H,2-8H2,1H3
InChIKeyDXLIUTWHRHRPED-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclohexyl)-3-fluoroazetidine?
The IUPAC name of 1-(3-ethoxycyclohexyl)-3-fluoroazetidine (CID 163258370) is 1-(3-ethoxycyclohexyl)-3-fluoroazetidine.
What is the SMILES notation for 1-(3-ethoxycyclohexyl)-3-fluoroazetidine?
The canonical SMILES for 1-(3-ethoxycyclohexyl)-3-fluoroazetidine is CCOC1CCCC(N2CC(F)C2)C1.
What is the InChIKey of 1-(3-ethoxycyclohexyl)-3-fluoroazetidine?
The InChIKey is DXLIUTWHRHRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-2-14-11-5-3-4-10(6-11)13-7-9(12)8-13/h9-11H,2-8H2,1H3.
What are the key properties of 1-(3-ethoxycyclohexyl)-3-fluoroazetidine?
1-(3-ethoxycyclohexyl)-3-fluoroazetidine has a molecular weight of 201.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclohexyl)-3-fluoroazetidine is sourced from PubChem (CID 163258370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).