3-butan-2-yl-3-fluoroazetidine

C7H14FN — CID 89185751

IUPAC3-butan-2-yl-3-fluoroazetidine
SMILESCCC(C)C1(F)CNC1
InChIInChI=1S/C7H14FN/c1-3-6(2)7(8)4-9-5-7/h6,9H,3-5H2,1-2H3
InChIKeyJTMKMCYGCUVESR-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.34
Rot. Bonds2

About 3-butan-2-yl-3-fluoroazetidine

3-butan-2-yl-3-fluoroazetidine (PubChem CID 89185751) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-butan-2-yl-3-fluoroazetidine.

Molecular Properties

Compound Name3-butan-2-yl-3-fluoroazetidine
PubChem CID89185751
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-butan-2-yl-3-fluoroazetidine
SMILESCCC(C)C1(F)CNC1
InChIInChI=1S/C7H14FN/c1-3-6(2)7(8)4-9-5-7/h6,9H,3-5H2,1-2H3
InChIKeyJTMKMCYGCUVESR-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-3-fluoroazetidine?
The IUPAC name of 3-butan-2-yl-3-fluoroazetidine (CID 89185751) is 3-butan-2-yl-3-fluoroazetidine.
What is the SMILES notation for 3-butan-2-yl-3-fluoroazetidine?
The canonical SMILES for 3-butan-2-yl-3-fluoroazetidine is CCC(C)C1(F)CNC1.
What is the InChIKey of 3-butan-2-yl-3-fluoroazetidine?
The InChIKey is JTMKMCYGCUVESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-6(2)7(8)4-9-5-7/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-butan-2-yl-3-fluoroazetidine?
3-butan-2-yl-3-fluoroazetidine has a molecular weight of 131.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-3-fluoroazetidine is sourced from PubChem (CID 89185751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).