3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine

C20H36FN — CID 123915199

IUPAC3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine
SMILESCCC1CC(C)CC(F)CC1C1NCC1C1(C)CCCC1C
InChIInChI=1S/C20H36FN/c1-5-15-9-13(2)10-16(21)11-17(15)19-18(12-22-19)20(4)8-6-7-14(20)3/h13-19,22H,5-12H2,1-4H3
InChIKeySUOKORKITCPEGP-UHFFFAOYSA-N
MW309.51 g/mol
LogP5.20
Rot. Bonds3

About 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine

3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine (PubChem CID 123915199) has the molecular formula C20H36FN and a molecular weight of 309.51 g/mol. Its IUPAC name is 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine.

Molecular Properties

Compound Name3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine
PubChem CID123915199
Molecular FormulaC20H36FN
Molecular Weight309.51 g/mol
Exact Mass309.28
IUPAC Name3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine
SMILESCCC1CC(C)CC(F)CC1C1NCC1C1(C)CCCC1C
InChIInChI=1S/C20H36FN/c1-5-15-9-13(2)10-16(21)11-17(15)19-18(12-22-19)20(4)8-6-7-14(20)3/h13-19,22H,5-12H2,1-4H3
InChIKeySUOKORKITCPEGP-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine?
The IUPAC name of 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine (CID 123915199) is 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine.
What is the SMILES notation for 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine?
The canonical SMILES for 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine is CCC1CC(C)CC(F)CC1C1NCC1C1(C)CCCC1C.
What is the InChIKey of 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine?
The InChIKey is SUOKORKITCPEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36FN/c1-5-15-9-13(2)10-16(21)11-17(15)19-18(12-22-19)20(4)8-6-7-14(20)3/h13-19,22H,5-12H2,1-4H3.
What are the key properties of 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine?
3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine has a molecular weight of 309.51 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylcyclopentyl)-2-(2-ethyl-6-fluoro-4-methylcycloheptyl)azetidine is sourced from PubChem (CID 123915199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).