2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

C13H15F5O — CID 61088665

IUPAC2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)C(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C13H15F5O/c1-6-5-7(2)9(4)10(8(6)3)11(19)12(14,15)13(16,17)18/h5,11,19H,1-4H3
InChIKeyUOYJILJCLQWTLC-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.15
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol

2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (PubChem CID 61088665) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
PubChem CID61088665
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C)c(C(O)C(F)(F)C(F)(F)F)c1C
InChIInChI=1S/C13H15F5O/c1-6-5-7(2)9(4)10(8(6)3)11(19)12(14,15)13(16,17)18/h5,11,19H,1-4H3
InChIKeyUOYJILJCLQWTLC-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol (CID 61088665) is 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is Cc1cc(C)c(C)c(C(O)C(F)(F)C(F)(F)F)c1C.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
The InChIKey is UOYJILJCLQWTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O/c1-6-5-7(2)9(4)10(8(6)3)11(19)12(14,15)13(16,17)18/h5,11,19H,1-4H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol?
2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol has a molecular weight of 282.25 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol is sourced from PubChem (CID 61088665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).