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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Related Compounds

3-(3,4-dimethylcyclohexyl)-3-fluorocyclobutan-1-amine
CID 112563947
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
3-(3,4-dimethylcyclohexyl)thietan-3-ol
CID 131097107
1-(3,4-dimethylcyclohexyl)-2,3-dimethylcyclohexan-1-ol
CID 64756014
(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 144922740
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
1,2-difluoro-4,5-dimethylcycloheptane
CID 143035426
4-(3,4-dimethylcyclohexyl)oxy-1,2-dimethylcyclohexane;ethane
CID 153365262
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
3-(3,4-dimethylcyclohexyl)-N,3-dimethylcyclopentan-1-amine
CID 116539144
3-(3-ethylcyclohexyl)-3-fluoropiperidine
CID 112562974

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).