3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol

C11H14F2O — CID 112575476

IUPAC3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
SMILESCc1cccc(C)c1CC(O)C(F)F
InChIInChI=1S/C11H14F2O/c1-7-4-3-5-8(2)9(7)6-10(14)11(12)13/h3-5,10-11,14H,6H2,1-2H3
InChIKeyZRDDJGALQTYGNN-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.47
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol

3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol (PubChem CID 112575476) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
PubChem CID112575476
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
SMILESCc1cccc(C)c1CC(O)C(F)F
InChIInChI=1S/C11H14F2O/c1-7-4-3-5-8(2)9(7)6-10(14)11(12)13/h3-5,10-11,14H,6H2,1-2H3
InChIKeyZRDDJGALQTYGNN-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol (CID 112575476) is 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol is Cc1cccc(C)c1CC(O)C(F)F.
What is the InChIKey of 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol?
The InChIKey is ZRDDJGALQTYGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7-4-3-5-8(2)9(7)6-10(14)11(12)13/h3-5,10-11,14H,6H2,1-2H3.
What are the key properties of 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol?
3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol has a molecular weight of 200.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).