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

C9H18FNO — CID 155452195

IUPAC1-tert-butyl-3-(2-fluoroethoxy)azetidine
SMILESCC(C)(C)N1CC(OCCF)C1
InChIInChI=1S/C9H18FNO/c1-9(2,3)11-6-8(7-11)12-5-4-10/h8H,4-7H2,1-3H3
InChIKeyQTJWAOZXUFFJRB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds3

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

1-tert-butyl-3-(2-fluoroethoxy)azetidine (PubChem CID 155452195) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-fluoroethoxy)azetidine.

Molecular Properties

Compound Name1-tert-butyl-3-(2-fluoroethoxy)azetidine
PubChem CID155452195
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-tert-butyl-3-(2-fluoroethoxy)azetidine
SMILESCC(C)(C)N1CC(OCCF)C1
InChIInChI=1S/C9H18FNO/c1-9(2,3)11-6-8(7-11)12-5-4-10/h8H,4-7H2,1-3H3
InChIKeyQTJWAOZXUFFJRB-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-fluoroethoxy)azetidine?
The IUPAC name of 1-tert-butyl-3-(2-fluoroethoxy)azetidine (CID 155452195) is 1-tert-butyl-3-(2-fluoroethoxy)azetidine.
What is the SMILES notation for 1-tert-butyl-3-(2-fluoroethoxy)azetidine?
The canonical SMILES for 1-tert-butyl-3-(2-fluoroethoxy)azetidine is CC(C)(C)N1CC(OCCF)C1.
What is the InChIKey of 1-tert-butyl-3-(2-fluoroethoxy)azetidine?
The InChIKey is QTJWAOZXUFFJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2,3)11-6-8(7-11)12-5-4-10/h8H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(2-fluoroethoxy)azetidine?
1-tert-butyl-3-(2-fluoroethoxy)azetidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-fluoroethoxy)azetidine is sourced from PubChem (CID 155452195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).