1-(3-fluoropropyl)-3-methylideneazetidine

C7H12FN — CID 139336353

IUPAC1-(3-fluoropropyl)-3-methylideneazetidine
SMILESC=C1CN(CCCF)C1
InChIInChI=1S/C7H12FN/c1-7-5-9(6-7)4-2-3-8/h1-6H2
InChIKeyBTTVIUVOKRJRFF-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methylideneazetidine

1-(3-fluoropropyl)-3-methylideneazetidine (PubChem CID 139336353) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylideneazetidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylideneazetidine
PubChem CID139336353
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-(3-fluoropropyl)-3-methylideneazetidine
SMILESC=C1CN(CCCF)C1
InChIInChI=1S/C7H12FN/c1-7-5-9(6-7)4-2-3-8/h1-6H2
InChIKeyBTTVIUVOKRJRFF-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
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 1-(3-fluoropropyl)-3-methylideneazetidine?
The IUPAC name of 1-(3-fluoropropyl)-3-methylideneazetidine (CID 139336353) is 1-(3-fluoropropyl)-3-methylideneazetidine.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylideneazetidine?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylideneazetidine is C=C1CN(CCCF)C1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylideneazetidine?
The InChIKey is BTTVIUVOKRJRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c1-7-5-9(6-7)4-2-3-8/h1-6H2.
What are the key properties of 1-(3-fluoropropyl)-3-methylideneazetidine?
1-(3-fluoropropyl)-3-methylideneazetidine has a molecular weight of 129.18 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylideneazetidine is sourced from PubChem (CID 139336353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).