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(OCCF)C1
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
MW219.26 g/mol
LogP1.59
Rot. Bonds3

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 219.26 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 Weight219.26 g/mol
Exact Mass219.13
IUPAC Nametert-butyl 3-(2-fluoroethoxy)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OCCF)C1
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
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 3-methoxyazetidine-1-carboxylate
CID 22243050
1-Boc-3-fluoro-3-methylazetidine
CID 55271007
Tert-butyl 3-(3-bromopropoxy)azetidine-1-carboxylate
CID 53484285
Tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate
CID 53484565
Tert-butyl 3-(aminooxy)azetidine-1-carboxylate
CID 69224982
Tert-butyl 3-(2-aminoethoxy)azetidine-1-carboxylate
CID 69409413
Tert-butyl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 71258444
[2-(2-Fluoro-ethoxy)-ethyl]-methyl-carbamic acid tert-butyl ester
CID 86657900
Tert-butyl 3-(difluoromethoxy)azetidine-1-carboxylate
CID 90288988
Tert-butyl 3-(2,2-difluoroethoxy)azetidine-1-carboxylate
CID 90289272
Tert-butyl 2-(fluoromethyl)morpholine-4-carboxylate
CID 121254774
(S)-Tert-butyl 2-(fluoromethyl)morpholine-4-carboxylate
CID 121254775

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(OCCF)C1.
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 219.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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).