1,1-difluoro-2-naphthalen-2-ylpropan-2-ol

C13H12F2O — CID 80604769

IUPAC1,1-difluoro-2-naphthalen-2-ylpropan-2-ol
SMILESCC(O)(c1ccc2ccccc2c1)C(F)F
InChIInChI=1S/C13H12F2O/c1-13(16,12(14)15)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,16H,1H3
InChIKeyYWFMZVOGTYHJHV-UHFFFAOYSA-N
MW222.23 g/mol
LogP3.31
Rot. Bonds2

About 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol

1,1-difluoro-2-naphthalen-2-ylpropan-2-ol (PubChem CID 80604769) has the molecular formula C13H12F2O and a molecular weight of 222.23 g/mol. Its IUPAC name is 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-naphthalen-2-ylpropan-2-ol
PubChem CID80604769
Molecular FormulaC13H12F2O
Molecular Weight222.23 g/mol
Exact Mass222.09
IUPAC Name1,1-difluoro-2-naphthalen-2-ylpropan-2-ol
SMILESCC(O)(c1ccc2ccccc2c1)C(F)F
InChIInChI=1S/C13H12F2O/c1-13(16,12(14)15)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,16H,1H3
InChIKeyYWFMZVOGTYHJHV-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol?
The IUPAC name of 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol (CID 80604769) is 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol?
The canonical SMILES for 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol is CC(O)(c1ccc2ccccc2c1)C(F)F.
What is the InChIKey of 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol?
The InChIKey is YWFMZVOGTYHJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O/c1-13(16,12(14)15)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12,16H,1H3.
What are the key properties of 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol?
1,1-difluoro-2-naphthalen-2-ylpropan-2-ol has a molecular weight of 222.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-naphthalen-2-ylpropan-2-ol is sourced from PubChem (CID 80604769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).