2,2-dimethyl-4-(trifluoromethoxy)butanoic acid

C7H11F3O3 — CID 79425978

IUPAC2,2-dimethyl-4-(trifluoromethoxy)butanoic acid
SMILESCC(C)(CCOC(F)(F)F)C(=O)O
InChIInChI=1S/C7H11F3O3/c1-6(2,5(11)12)3-4-13-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChIKeyLNRXKKMPZHKSSN-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.02
Rot. Bonds4

About 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid

2,2-dimethyl-4-(trifluoromethoxy)butanoic acid (PubChem CID 79425978) has the molecular formula C7H11F3O3 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(trifluoromethoxy)butanoic acid
PubChem CID79425978
Molecular FormulaC7H11F3O3
Molecular Weight200.16 g/mol
Exact Mass200.07
IUPAC Name2,2-dimethyl-4-(trifluoromethoxy)butanoic acid
SMILESCC(C)(CCOC(F)(F)F)C(=O)O
InChIInChI=1S/C7H11F3O3/c1-6(2,5(11)12)3-4-13-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChIKeyLNRXKKMPZHKSSN-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid (CID 79425978) is 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid is CC(C)(CCOC(F)(F)F)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid?
The InChIKey is LNRXKKMPZHKSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O3/c1-6(2,5(11)12)3-4-13-7(8,9)10/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid?
2,2-dimethyl-4-(trifluoromethoxy)butanoic acid has a molecular weight of 200.16 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(trifluoromethoxy)butanoic acid is sourced from PubChem (CID 79425978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).