6-(2,2-dimethylpropyl)-2,3-difluorophenol

C11H14F2O — CID 58149383

IUPAC6-(2,2-dimethylpropyl)-2,3-difluorophenol
SMILESCC(C)(C)Cc1ccc(F)c(F)c1O
InChIInChI=1S/C11H14F2O/c1-11(2,3)6-7-4-5-8(12)9(13)10(7)14/h4-5,14H,6H2,1-3H3
InChIKeyOBYVHTXYTHSHKG-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.26
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-2,3-difluorophenol

6-(2,2-dimethylpropyl)-2,3-difluorophenol (PubChem CID 58149383) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-2,3-difluorophenol.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-2,3-difluorophenol
PubChem CID58149383
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name6-(2,2-dimethylpropyl)-2,3-difluorophenol
SMILESCC(C)(C)Cc1ccc(F)c(F)c1O
InChIInChI=1S/C11H14F2O/c1-11(2,3)6-7-4-5-8(12)9(13)10(7)14/h4-5,14H,6H2,1-3H3
InChIKeyOBYVHTXYTHSHKG-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-2,3-difluorophenol?
The IUPAC name of 6-(2,2-dimethylpropyl)-2,3-difluorophenol (CID 58149383) is 6-(2,2-dimethylpropyl)-2,3-difluorophenol.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-2,3-difluorophenol?
The canonical SMILES for 6-(2,2-dimethylpropyl)-2,3-difluorophenol is CC(C)(C)Cc1ccc(F)c(F)c1O.
What is the InChIKey of 6-(2,2-dimethylpropyl)-2,3-difluorophenol?
The InChIKey is OBYVHTXYTHSHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-11(2,3)6-7-4-5-8(12)9(13)10(7)14/h4-5,14H,6H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)-2,3-difluorophenol?
6-(2,2-dimethylpropyl)-2,3-difluorophenol has a molecular weight of 200.23 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-2,3-difluorophenol is sourced from PubChem (CID 58149383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).