3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine

C11H20FN — CID 112563346

IUPAC3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
SMILESCC1CCC(C2(F)CNC2)CC1C
InChIInChI=1S/C11H20FN/c1-8-3-4-10(5-9(8)2)11(12)6-13-7-11/h8-10,13H,3-7H2,1-2H3
InChIKeySEAKRFVSFSDNOV-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.37
Rot. Bonds1

About 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine

3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine (PubChem CID 112563346) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
PubChem CID112563346
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine
SMILESCC1CCC(C2(F)CNC2)CC1C
InChIInChI=1S/C11H20FN/c1-8-3-4-10(5-9(8)2)11(12)6-13-7-11/h8-10,13H,3-7H2,1-2H3
InChIKeySEAKRFVSFSDNOV-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine (CID 112563346) is 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine is CC1CCC(C2(F)CNC2)CC1C.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine?
The InChIKey is SEAKRFVSFSDNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8-3-4-10(5-9(8)2)11(12)6-13-7-11/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine?
3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine has a molecular weight of 185.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)-3-fluoroazetidine is sourced from PubChem (CID 112563346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).