tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate

C10H18FNO3 — CID 86679272

IUPACtert-butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C1)OCCF
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3
InChIKeyKYMMRKNPFDAJJP-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.10
Rot. Bonds5

About tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate

tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate (PubChem CID 86679272) has the molecular formula C10H18FNO3 and a molecular weight of 219.25 g/mol. Its IUPAC name is tert-butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
PubChem CID86679272
Molecular FormulaC10H18FNO3
Molecular Weight219.25 g/mol
Exact Mass219.13
IUPAC Nametert-butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C1)OCCF
InChIInChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3
InChIKeyKYMMRKNPFDAJJP-UHFFFAOYSA-N
XLogP1.10
TPSA38.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity221

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate?
The IUPAC name of tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate (CID 86679272) is tert-butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate.
What is the SMILES notation for tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate?
The canonical SMILES for tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C1)OCCF.
What is the InChIKey of tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate?
The InChIKey is KYMMRKNPFDAJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3.
What are the key properties of tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate?
tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate has a molecular weight of 219.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate is sourced from PubChem (CID 86679272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).