3-fluoro-1-(3-methylsulfanylpropyl)azetidine

C7H14FNS — CID 170133121

IUPAC3-fluoro-1-(3-methylsulfanylpropyl)azetidine
SMILESCSCCCN1CC(F)C1
InChIInChI=1S/C7H14FNS/c1-10-4-2-3-9-5-7(8)6-9/h7H,2-6H2,1H3
InChIKeyPLMFWXVVLVELLC-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.39
Rot. Bonds4

About 3-fluoro-1-(3-methylsulfanylpropyl)azetidine

3-fluoro-1-(3-methylsulfanylpropyl)azetidine (PubChem CID 170133121) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylsulfanylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methylsulfanylpropyl)azetidine
PubChem CID170133121
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-fluoro-1-(3-methylsulfanylpropyl)azetidine
SMILESCSCCCN1CC(F)C1
InChIInChI=1S/C7H14FNS/c1-10-4-2-3-9-5-7(8)6-9/h7H,2-6H2,1H3
InChIKeyPLMFWXVVLVELLC-UHFFFAOYSA-N
XLogP1.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylsulfanylpropyl)azetidine?
The IUPAC name of 3-fluoro-1-(3-methylsulfanylpropyl)azetidine (CID 170133121) is 3-fluoro-1-(3-methylsulfanylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(3-methylsulfanylpropyl)azetidine?
The canonical SMILES for 3-fluoro-1-(3-methylsulfanylpropyl)azetidine is CSCCCN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-methylsulfanylpropyl)azetidine?
The InChIKey is PLMFWXVVLVELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-10-4-2-3-9-5-7(8)6-9/h7H,2-6H2,1H3.
What are the key properties of 3-fluoro-1-(3-methylsulfanylpropyl)azetidine?
3-fluoro-1-(3-methylsulfanylpropyl)azetidine has a molecular weight of 163.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylsulfanylpropyl)azetidine is sourced from PubChem (CID 170133121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).