tert-butyl 2-(4-fluorophenyl)acetate

C12H15FO2 — CID 44769659

IUPACtert-butyl 2-(4-fluorophenyl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKeyRYZCRXLOOKIYPC-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl 2-(4-fluorophenyl)acetate

tert-butyl 2-(4-fluorophenyl)acetate (PubChem CID 44769659) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is tert-butyl 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-fluorophenyl)acetate
PubChem CID44769659
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Nametert-butyl 2-(4-fluorophenyl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H15FO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKeyRYZCRXLOOKIYPC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2-(4-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-fluorophenyl)acetate?
The IUPAC name of tert-butyl 2-(4-fluorophenyl)acetate (CID 44769659) is tert-butyl 2-(4-fluorophenyl)acetate.
What is the SMILES notation for tert-butyl 2-(4-fluorophenyl)acetate?
The canonical SMILES for tert-butyl 2-(4-fluorophenyl)acetate is CC(C)(C)OC(=O)Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl 2-(4-fluorophenyl)acetate?
The InChIKey is RYZCRXLOOKIYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2,3)15-11(14)8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of tert-butyl 2-(4-fluorophenyl)acetate?
tert-butyl 2-(4-fluorophenyl)acetate has a molecular weight of 210.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 44769659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).