2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C12H12F6O — CID 135038552

IUPAC2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1ccc(C)c(CC(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-7-3-4-8(2)9(5-7)6-10(19,11(13,14)15)12(16,17)18/h3-5,19H,6H2,1-2H3
InChIKeyMDOAVQPUKPLIQJ-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.70
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 135038552) has the molecular formula C12H12F6O and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID135038552
Molecular FormulaC12H12F6O
Molecular Weight286.22 g/mol
Exact Mass286.08
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1ccc(C)c(CC(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C12H12F6O/c1-7-3-4-8(2)9(5-7)6-10(19,11(13,14)15)12(16,17)18/h3-5,19H,6H2,1-2H3
InChIKeyMDOAVQPUKPLIQJ-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 135038552) is 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1ccc(C)c(CC(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is MDOAVQPUKPLIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6O/c1-7-3-4-8(2)9(5-7)6-10(19,11(13,14)15)12(16,17)18/h3-5,19H,6H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 286.22 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 135038552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).