3-fluoro-3-methyl-1-propylazetidine

C7H14FN — CID 90141945

IUPAC3-fluoro-3-methyl-1-propylazetidine
SMILESCCCN1CC(C)(F)C1
InChIInChI=1S/C7H14FN/c1-3-4-9-5-7(2,8)6-9/h3-6H2,1-2H3
InChIKeyADZNRFKKQMHJJT-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.44
Rot. Bonds2

About 3-fluoro-3-methyl-1-propylazetidine

3-fluoro-3-methyl-1-propylazetidine (PubChem CID 90141945) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propylazetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propylazetidine
PubChem CID90141945
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-3-methyl-1-propylazetidine
SMILESCCCN1CC(C)(F)C1
InChIInChI=1S/C7H14FN/c1-3-4-9-5-7(2,8)6-9/h3-6H2,1-2H3
InChIKeyADZNRFKKQMHJJT-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-propylazetidine?
The IUPAC name of 3-fluoro-3-methyl-1-propylazetidine (CID 90141945) is 3-fluoro-3-methyl-1-propylazetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propylazetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propylazetidine is CCCN1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-propylazetidine?
The InChIKey is ADZNRFKKQMHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-4-9-5-7(2,8)6-9/h3-6H2,1-2H3.
What are the key properties of 3-fluoro-3-methyl-1-propylazetidine?
3-fluoro-3-methyl-1-propylazetidine has a molecular weight of 131.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propylazetidine is sourced from PubChem (CID 90141945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).