2-(1,1-difluoro-2,2-dimethylpropyl)phenol

C11H14F2O — CID 83855896

IUPAC2-(1,1-difluoro-2,2-dimethylpropyl)phenol
SMILESCC(C)(C)C(F)(F)c1ccccc1O
InChIInChI=1S/C11H14F2O/c1-10(2,3)11(12,13)8-6-4-5-7-9(8)14/h4-7,14H,1-3H3
InChIKeyLNKIKFXZJBENOH-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.53
Rot. Bonds1

About 2-(1,1-difluoro-2,2-dimethylpropyl)phenol

2-(1,1-difluoro-2,2-dimethylpropyl)phenol (PubChem CID 83855896) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(1,1-difluoro-2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(1,1-difluoro-2,2-dimethylpropyl)phenol
PubChem CID83855896
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(1,1-difluoro-2,2-dimethylpropyl)phenol
SMILESCC(C)(C)C(F)(F)c1ccccc1O
InChIInChI=1S/C11H14F2O/c1-10(2,3)11(12,13)8-6-4-5-7-9(8)14/h4-7,14H,1-3H3
InChIKeyLNKIKFXZJBENOH-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(1,1-difluoro-2,2-dimethylpropyl)phenol (CID 83855896) is 2-(1,1-difluoro-2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(1,1-difluoro-2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(1,1-difluoro-2,2-dimethylpropyl)phenol is CC(C)(C)C(F)(F)c1ccccc1O.
What is the InChIKey of 2-(1,1-difluoro-2,2-dimethylpropyl)phenol?
The InChIKey is LNKIKFXZJBENOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-10(2,3)11(12,13)8-6-4-5-7-9(8)14/h4-7,14H,1-3H3.
What are the key properties of 2-(1,1-difluoro-2,2-dimethylpropyl)phenol?
2-(1,1-difluoro-2,2-dimethylpropyl)phenol has a molecular weight of 200.23 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2,2-dimethylpropyl)phenol is sourced from PubChem (CID 83855896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).