5,5,5-trifluoro-3,3-dimethylpentanoic acid

C7H11F3O2 — CID 59706993

IUPAC5,5,5-trifluoro-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-6(2,3-5(11)12)4-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChIKeyLUPNEMLJXBGHET-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.44
Rot. Bonds3

About 5,5,5-trifluoro-3,3-dimethylpentanoic acid

5,5,5-trifluoro-3,3-dimethylpentanoic acid (PubChem CID 59706993) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-3,3-dimethylpentanoic acid
PubChem CID59706993
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name5,5,5-trifluoro-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-6(2,3-5(11)12)4-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChIKeyLUPNEMLJXBGHET-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3,3-dimethylpentanoic acid?
The IUPAC name of 5,5,5-trifluoro-3,3-dimethylpentanoic acid (CID 59706993) is 5,5,5-trifluoro-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-3,3-dimethylpentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-3,3-dimethylpentanoic acid is CC(C)(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3,3-dimethylpentanoic acid?
The InChIKey is LUPNEMLJXBGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-6(2,3-5(11)12)4-7(8,9)10/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 5,5,5-trifluoro-3,3-dimethylpentanoic acid?
5,5,5-trifluoro-3,3-dimethylpentanoic acid has a molecular weight of 184.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3,3-dimethylpentanoic acid is sourced from PubChem (CID 59706993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).