2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H10F6O — CID 14438707

IUPAC2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C11H10F6O/c1-6-3-4-8(5-7(6)2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKeyDDLQAOJQQSJPIH-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.62
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 14438707) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID14438707
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C11H10F6O/c1-6-3-4-8(5-7(6)2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3
InChIKeyDDLQAOJQQSJPIH-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 14438707) is 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is DDLQAOJQQSJPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c1-6-3-4-8(5-7(6)2)9(18,10(12,13)14)11(15,16)17/h3-5,18H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 272.19 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 14438707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).