tert-butyl 2-fluoroacetate

C6H11FO2 — CID 11126305

IUPACtert-butyl 2-fluoroacetate
SMILESCC(C)(C)OC(=O)CF
InChIInChI=1S/C6H11FO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKeyPIZRHGWZUVTVQJ-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.30
Rot. Bonds1

About tert-butyl 2-fluoroacetate

tert-butyl 2-fluoroacetate (PubChem CID 11126305) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is tert-butyl 2-fluoroacetate.

Molecular Properties

Compound Nametert-butyl 2-fluoroacetate
PubChem CID11126305
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Nametert-butyl 2-fluoroacetate
SMILESCC(C)(C)OC(=O)CF
InChIInChI=1S/C6H11FO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
InChIKeyPIZRHGWZUVTVQJ-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-fluoroacetate?
The IUPAC name of tert-butyl 2-fluoroacetate (CID 11126305) is tert-butyl 2-fluoroacetate.
What is the SMILES notation for tert-butyl 2-fluoroacetate?
The canonical SMILES for tert-butyl 2-fluoroacetate is CC(C)(C)OC(=O)CF.
What is the InChIKey of tert-butyl 2-fluoroacetate?
The InChIKey is PIZRHGWZUVTVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3.
What are the key properties of tert-butyl 2-fluoroacetate?
tert-butyl 2-fluoroacetate has a molecular weight of 134.15 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-fluoroacetate is sourced from PubChem (CID 11126305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).