2-tert-butyl-3,5-difluorophenol

C10H12F2O — CID 118328413

IUPAC2-tert-butyl-3,5-difluorophenol
SMILESCC(C)(C)c1c(O)cc(F)cc1F
InChIInChI=1S/C10H12F2O/c1-10(2,3)9-7(12)4-6(11)5-8(9)13/h4-5,13H,1-3H3
InChIKeyUCZMWEPGGZERGG-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.97
Rot. Bonds

About 2-tert-butyl-3,5-difluorophenol

2-tert-butyl-3,5-difluorophenol (PubChem CID 118328413) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-tert-butyl-3,5-difluorophenol.

Molecular Properties

Compound Name2-tert-butyl-3,5-difluorophenol
PubChem CID118328413
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name2-tert-butyl-3,5-difluorophenol
SMILESCC(C)(C)c1c(O)cc(F)cc1F
InChIInChI=1S/C10H12F2O/c1-10(2,3)9-7(12)4-6(11)5-8(9)13/h4-5,13H,1-3H3
InChIKeyUCZMWEPGGZERGG-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5-difluorophenol?
The IUPAC name of 2-tert-butyl-3,5-difluorophenol (CID 118328413) is 2-tert-butyl-3,5-difluorophenol.
What is the SMILES notation for 2-tert-butyl-3,5-difluorophenol?
The canonical SMILES for 2-tert-butyl-3,5-difluorophenol is CC(C)(C)c1c(O)cc(F)cc1F.
What is the InChIKey of 2-tert-butyl-3,5-difluorophenol?
The InChIKey is UCZMWEPGGZERGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-10(2,3)9-7(12)4-6(11)5-8(9)13/h4-5,13H,1-3H3.
What are the key properties of 2-tert-butyl-3,5-difluorophenol?
2-tert-butyl-3,5-difluorophenol has a molecular weight of 186.20 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5-difluorophenol is sourced from PubChem (CID 118328413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).