3-tert-butyl-1-(2-fluoroethyl)azetidine

C9H18FN — CID 121337301

IUPAC3-tert-butyl-1-(2-fluoroethyl)azetidine
SMILESCC(C)(C)C1CN(CCF)C1
InChIInChI=1S/C9H18FN/c1-9(2,3)8-6-11(7-8)5-4-10/h8H,4-7H2,1-3H3
InChIKeyGLPVWGGRJJHLGH-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.93
Rot. Bonds2

About 3-tert-butyl-1-(2-fluoroethyl)azetidine

3-tert-butyl-1-(2-fluoroethyl)azetidine (PubChem CID 121337301) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-fluoroethyl)azetidine.

Molecular Properties

Compound Name3-tert-butyl-1-(2-fluoroethyl)azetidine
PubChem CID121337301
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-tert-butyl-1-(2-fluoroethyl)azetidine
SMILESCC(C)(C)C1CN(CCF)C1
InChIInChI=1S/C9H18FN/c1-9(2,3)8-6-11(7-8)5-4-10/h8H,4-7H2,1-3H3
InChIKeyGLPVWGGRJJHLGH-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2-fluoroethyl)azetidine?
The IUPAC name of 3-tert-butyl-1-(2-fluoroethyl)azetidine (CID 121337301) is 3-tert-butyl-1-(2-fluoroethyl)azetidine.
What is the SMILES notation for 3-tert-butyl-1-(2-fluoroethyl)azetidine?
The canonical SMILES for 3-tert-butyl-1-(2-fluoroethyl)azetidine is CC(C)(C)C1CN(CCF)C1.
What is the InChIKey of 3-tert-butyl-1-(2-fluoroethyl)azetidine?
The InChIKey is GLPVWGGRJJHLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2,3)8-6-11(7-8)5-4-10/h8H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2-fluoroethyl)azetidine?
3-tert-butyl-1-(2-fluoroethyl)azetidine has a molecular weight of 159.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-fluoroethyl)azetidine is sourced from PubChem (CID 121337301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).