4,4,4-trifluoro-2,2-dimethylbutanoic acid

C6H9F3O2 — CID 10057937

IUPAC4,4,4-trifluoro-2,2-dimethylbutanoic acid
SMILESCC(C)(CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3O2/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H,10,11)
InChIKeyGCPLLNZGWOPZLF-UHFFFAOYSA-N
MW170.13 g/mol
LogP2.05
Rot. Bonds2

About 4,4,4-trifluoro-2,2-dimethylbutanoic acid

4,4,4-trifluoro-2,2-dimethylbutanoic acid (PubChem CID 10057937) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-2,2-dimethylbutanoic acid
PubChem CID10057937
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name4,4,4-trifluoro-2,2-dimethylbutanoic acid
SMILESCC(C)(CC(F)(F)F)C(=O)O
InChIInChI=1S/C6H9F3O2/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H,10,11)
InChIKeyGCPLLNZGWOPZLF-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,2-dimethylbutanoic acid?
The IUPAC name of 4,4,4-trifluoro-2,2-dimethylbutanoic acid (CID 10057937) is 4,4,4-trifluoro-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-2,2-dimethylbutanoic acid?
The canonical SMILES for 4,4,4-trifluoro-2,2-dimethylbutanoic acid is CC(C)(CC(F)(F)F)C(=O)O.
What is the InChIKey of 4,4,4-trifluoro-2,2-dimethylbutanoic acid?
The InChIKey is GCPLLNZGWOPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-5(2,4(10)11)3-6(7,8)9/h3H2,1-2H3,(H,10,11).
What are the key properties of 4,4,4-trifluoro-2,2-dimethylbutanoic acid?
4,4,4-trifluoro-2,2-dimethylbutanoic acid has a molecular weight of 170.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,2-dimethylbutanoic acid is sourced from PubChem (CID 10057937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).