2-(2-tert-butylphenyl)-2-fluoroacetic acid

C12H15FO2 — CID 105425453

IUPAC2-(2-tert-butylphenyl)-2-fluoroacetic acid
SMILESCC(C)(C)c1ccccc1C(F)C(=O)O
InChIInChI=1S/C12H15FO2/c1-12(2,3)9-7-5-4-6-8(9)10(13)11(14)15/h4-7,10H,1-3H3,(H,14,15)
InChIKeyNCPBXUXZYJQWCO-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.08
Rot. Bonds2

About 2-(2-tert-butylphenyl)-2-fluoroacetic acid

2-(2-tert-butylphenyl)-2-fluoroacetic acid (PubChem CID 105425453) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2-tert-butylphenyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2-tert-butylphenyl)-2-fluoroacetic acid
PubChem CID105425453
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-(2-tert-butylphenyl)-2-fluoroacetic acid
SMILESCC(C)(C)c1ccccc1C(F)C(=O)O
InChIInChI=1S/C12H15FO2/c1-12(2,3)9-7-5-4-6-8(9)10(13)11(14)15/h4-7,10H,1-3H3,(H,14,15)
InChIKeyNCPBXUXZYJQWCO-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenyl)-2-fluoroacetic acid?
The IUPAC name of 2-(2-tert-butylphenyl)-2-fluoroacetic acid (CID 105425453) is 2-(2-tert-butylphenyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2-tert-butylphenyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2-tert-butylphenyl)-2-fluoroacetic acid is CC(C)(C)c1ccccc1C(F)C(=O)O.
What is the InChIKey of 2-(2-tert-butylphenyl)-2-fluoroacetic acid?
The InChIKey is NCPBXUXZYJQWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2,3)9-7-5-4-6-8(9)10(13)11(14)15/h4-7,10H,1-3H3,(H,14,15).
What are the key properties of 2-(2-tert-butylphenyl)-2-fluoroacetic acid?
2-(2-tert-butylphenyl)-2-fluoroacetic acid has a molecular weight of 210.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenyl)-2-fluoroacetic acid is sourced from PubChem (CID 105425453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).