3-(2-ethylcyclohexyl)-3-fluoroazetidine

C11H20FN — CID 112563392

IUPAC3-(2-ethylcyclohexyl)-3-fluoroazetidine
SMILESCCC1CCCCC1C1(F)CNC1
InChIInChI=1S/C11H20FN/c1-2-9-5-3-4-6-10(9)11(12)7-13-8-11/h9-10,13H,2-8H2,1H3
InChIKeyFSIWBTSOKIERCH-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.51
Rot. Bonds2

About 3-(2-ethylcyclohexyl)-3-fluoroazetidine

3-(2-ethylcyclohexyl)-3-fluoroazetidine (PubChem CID 112563392) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)-3-fluoroazetidine
PubChem CID112563392
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-(2-ethylcyclohexyl)-3-fluoroazetidine
SMILESCCC1CCCCC1C1(F)CNC1
InChIInChI=1S/C11H20FN/c1-2-9-5-3-4-6-10(9)11(12)7-13-8-11/h9-10,13H,2-8H2,1H3
InChIKeyFSIWBTSOKIERCH-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)-3-fluoroazetidine?
The IUPAC name of 3-(2-ethylcyclohexyl)-3-fluoroazetidine (CID 112563392) is 3-(2-ethylcyclohexyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(2-ethylcyclohexyl)-3-fluoroazetidine?
The canonical SMILES for 3-(2-ethylcyclohexyl)-3-fluoroazetidine is CCC1CCCCC1C1(F)CNC1.
What is the InChIKey of 3-(2-ethylcyclohexyl)-3-fluoroazetidine?
The InChIKey is FSIWBTSOKIERCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-2-9-5-3-4-6-10(9)11(12)7-13-8-11/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)-3-fluoroazetidine?
3-(2-ethylcyclohexyl)-3-fluoroazetidine has a molecular weight of 185.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)-3-fluoroazetidine is sourced from PubChem (CID 112563392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).