4-tert-butyl-2-fluorophenol

C10H13FO — CID 11062790

IUPAC4-tert-butyl-2-fluorophenol
SMILESCC(C)(C)c1ccc(O)c(F)c1
InChIInChI=1S/C10H13FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChIKeyORLJSROIQHIMQM-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.83
Rot. Bonds

About 4-tert-butyl-2-fluorophenol

4-tert-butyl-2-fluorophenol (PubChem CID 11062790) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 4-tert-butyl-2-fluorophenol.

Molecular Properties

Compound Name4-tert-butyl-2-fluorophenol
PubChem CID11062790
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name4-tert-butyl-2-fluorophenol
SMILESCC(C)(C)c1ccc(O)c(F)c1
InChIInChI=1S/C10H13FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChIKeyORLJSROIQHIMQM-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-fluorophenol?
The IUPAC name of 4-tert-butyl-2-fluorophenol (CID 11062790) is 4-tert-butyl-2-fluorophenol.
What is the SMILES notation for 4-tert-butyl-2-fluorophenol?
The canonical SMILES for 4-tert-butyl-2-fluorophenol is CC(C)(C)c1ccc(O)c(F)c1.
What is the InChIKey of 4-tert-butyl-2-fluorophenol?
The InChIKey is ORLJSROIQHIMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3.
What are the key properties of 4-tert-butyl-2-fluorophenol?
4-tert-butyl-2-fluorophenol has a molecular weight of 168.21 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluorophenol is sourced from PubChem (CID 11062790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).