2,4-dimethyl-2-(trifluoromethyl)pentanoic acid

C8H13F3O2 — CID 83831473

IUPAC2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-5(2)4-7(3,6(12)13)8(9,10)11/h5H,4H2,1-3H3,(H,12,13)
InChIKeyLMIMCFWZOLPNGO-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.69
Rot. Bonds3

About 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid

2,4-dimethyl-2-(trifluoromethyl)pentanoic acid (PubChem CID 83831473) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
PubChem CID83831473
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name2,4-dimethyl-2-(trifluoromethyl)pentanoic acid
SMILESCC(C)CC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H13F3O2/c1-5(2)4-7(3,6(12)13)8(9,10)11/h5H,4H2,1-3H3,(H,12,13)
InChIKeyLMIMCFWZOLPNGO-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid (CID 83831473) is 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid is CC(C)CC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid?
The InChIKey is LMIMCFWZOLPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c1-5(2)4-7(3,6(12)13)8(9,10)11/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid?
2,4-dimethyl-2-(trifluoromethyl)pentanoic acid has a molecular weight of 198.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 83831473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).