3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine

C11H20FN — CID 155265328

IUPAC3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine
SMILESCC(C)(C)C=C1CN(CCCF)C1
InChIInChI=1S/C11H20FN/c1-11(2,3)7-10-8-13(9-10)6-4-5-12/h7H,4-6,8-9H2,1-3H3
InChIKeyGLCZKWQBOSOCKX-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.63
Rot. Bonds3

About 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine

3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine (PubChem CID 155265328) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine
PubChem CID155265328
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine
SMILESCC(C)(C)C=C1CN(CCCF)C1
InChIInChI=1S/C11H20FN/c1-11(2,3)7-10-8-13(9-10)6-4-5-12/h7H,4-6,8-9H2,1-3H3
InChIKeyGLCZKWQBOSOCKX-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine?
The IUPAC name of 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine (CID 155265328) is 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine.
What is the SMILES notation for 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine?
The canonical SMILES for 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine is CC(C)(C)C=C1CN(CCCF)C1.
What is the InChIKey of 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine?
The InChIKey is GLCZKWQBOSOCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-11(2,3)7-10-8-13(9-10)6-4-5-12/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine?
3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine has a molecular weight of 185.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylidene)-1-(3-fluoropropyl)azetidine is sourced from PubChem (CID 155265328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).