1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine

C12H24FNO — CID 134271509

IUPAC1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine
SMILESCC(F)OC1CN(CCCC(C)(C)C)C1
InChIInChI=1S/C12H24FNO/c1-10(13)15-11-8-14(9-11)7-5-6-12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyHTTAIGPATIASOF-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.83
Rot. Bonds5

About 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine

1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine (PubChem CID 134271509) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine
PubChem CID134271509
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine
SMILESCC(F)OC1CN(CCCC(C)(C)C)C1
InChIInChI=1S/C12H24FNO/c1-10(13)15-11-8-14(9-11)7-5-6-12(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyHTTAIGPATIASOF-UHFFFAOYSA-N
XLogP2.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine (CID 134271509) is 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine is CC(F)OC1CN(CCCC(C)(C)C)C1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine?
The InChIKey is HTTAIGPATIASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-10(13)15-11-8-14(9-11)7-5-6-12(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine?
1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine has a molecular weight of 217.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-3-(1-fluoroethoxy)azetidine is sourced from PubChem (CID 134271509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).