5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid

C17H24F2O2 — CID 63535150

IUPAC5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
SMILESCc1cc(C)c(C)c(C(F)(F)CC(C)(C)CC(=O)O)c1C
InChIInChI=1S/C17H24F2O2/c1-10-7-11(2)13(4)15(12(10)3)17(18,19)9-16(5,6)8-14(20)21/h7H,8-9H2,1-6H3,(H,20,21)
InChIKeyZLYGSXFKQOGTEK-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.90
Rot. Bonds5

About 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid

5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid (PubChem CID 63535150) has the molecular formula C17H24F2O2 and a molecular weight of 298.37 g/mol. Its IUPAC name is 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid.

Molecular Properties

Compound Name5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
PubChem CID63535150
Molecular FormulaC17H24F2O2
Molecular Weight298.37 g/mol
Exact Mass298.17
IUPAC Name5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid
SMILESCc1cc(C)c(C)c(C(F)(F)CC(C)(C)CC(=O)O)c1C
InChIInChI=1S/C17H24F2O2/c1-10-7-11(2)13(4)15(12(10)3)17(18,19)9-16(5,6)8-14(20)21/h7H,8-9H2,1-6H3,(H,20,21)
InChIKeyZLYGSXFKQOGTEK-UHFFFAOYSA-N
XLogP4.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
The IUPAC name of 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid (CID 63535150) is 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid.
What is the SMILES notation for 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
The canonical SMILES for 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid is Cc1cc(C)c(C)c(C(F)(F)CC(C)(C)CC(=O)O)c1C.
What is the InChIKey of 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
The InChIKey is ZLYGSXFKQOGTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O2/c1-10-7-11(2)13(4)15(12(10)3)17(18,19)9-16(5,6)8-14(20)21/h7H,8-9H2,1-6H3,(H,20,21).
What are the key properties of 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid?
5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid has a molecular weight of 298.37 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)pentanoic acid is sourced from PubChem (CID 63535150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).