tert-butyl formate;1-(4-fluorophenoxy)azetidine

C14H20FNO3 — CID 174738741

IUPACtert-butyl formate;1-(4-fluorophenoxy)azetidine
SMILESCC(C)(C)OC=O.Fc1ccc(ON2CCC2)cc1
InChIInChI=1S/C9H10FNO.C5H10O2/c10-8-2-4-9(5-3-8)12-11-6-1-7-11;1-5(2,3)7-4-6/h2-5H,1,6-7H2;4H,1-3H3
InChIKeyOMZXJPJSQCFECV-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.78
Rot. Bonds3

About tert-butyl formate;1-(4-fluorophenoxy)azetidine

tert-butyl formate;1-(4-fluorophenoxy)azetidine (PubChem CID 174738741) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is tert-butyl formate;1-(4-fluorophenoxy)azetidine.

Molecular Properties

Compound Nametert-butyl formate;1-(4-fluorophenoxy)azetidine
PubChem CID174738741
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Nametert-butyl formate;1-(4-fluorophenoxy)azetidine
SMILESCC(C)(C)OC=O.Fc1ccc(ON2CCC2)cc1
InChIInChI=1S/C9H10FNO.C5H10O2/c10-8-2-4-9(5-3-8)12-11-6-1-7-11;1-5(2,3)7-4-6/h2-5H,1,6-7H2;4H,1-3H3
InChIKeyOMZXJPJSQCFECV-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;1-[2-(trifluoromethyl)phenoxy]piperidine
CID 175276627
tert-butyl formate;cyclononane
CID 174460222
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
tert-butyl formate;1-(4-fluorophenyl)-2-methylpiperidin-4-ol
CID 175286879
1-[4-(trifluoromethoxy)phenoxy]piperidine
CID 56985535
tert-butyl formate;ethane
CID 175326717
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;N-(4-fluorophenyl)piperidin-4-amine;molecular hydrogen
CID 142818280
tert-butyl formate;ethane;methanamine;1-methylpiperidine
CID 143198708
tert-butyl formate;2-chloro-1,3-difluorobenzene
CID 174571808
tert-butyl formate;3-fluoro-4-piperazin-1-ylphenol
CID 174458308
tert-butyl formate;4-(4-fluorophenyl)-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
CID 174582941

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(4-fluorophenoxy)azetidine?
The IUPAC name of tert-butyl formate;1-(4-fluorophenoxy)azetidine (CID 174738741) is tert-butyl formate;1-(4-fluorophenoxy)azetidine.
What is the SMILES notation for tert-butyl formate;1-(4-fluorophenoxy)azetidine?
The canonical SMILES for tert-butyl formate;1-(4-fluorophenoxy)azetidine is CC(C)(C)OC=O.Fc1ccc(ON2CCC2)cc1.
What is the InChIKey of tert-butyl formate;1-(4-fluorophenoxy)azetidine?
The InChIKey is OMZXJPJSQCFECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO.C5H10O2/c10-8-2-4-9(5-3-8)12-11-6-1-7-11;1-5(2,3)7-4-6/h2-5H,1,6-7H2;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(4-fluorophenoxy)azetidine?
tert-butyl formate;1-(4-fluorophenoxy)azetidine has a molecular weight of 269.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(4-fluorophenoxy)azetidine is sourced from PubChem (CID 174738741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).