4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid

C8H11F3O3 — CID 63154797

IUPAC4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid
SMILESO=C(O)CC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C8H11F3O3/c9-8(10,11)6(3-7(12)13)5-1-2-14-4-5/h5-6H,1-4H2,(H,12,13)
InChIKeyAVHBMJSGMASDFZ-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.68
Rot. Bonds3

About 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid

4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid (PubChem CID 63154797) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid
PubChem CID63154797
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid
SMILESO=C(O)CC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C8H11F3O3/c9-8(10,11)6(3-7(12)13)5-1-2-14-4-5/h5-6H,1-4H2,(H,12,13)
InChIKeyAVHBMJSGMASDFZ-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid (CID 63154797) is 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid is O=C(O)CC(C1CCOC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid?
The InChIKey is AVHBMJSGMASDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)6(3-7(12)13)5-1-2-14-4-5/h5-6H,1-4H2,(H,12,13).
What are the key properties of 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid?
4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid has a molecular weight of 212.17 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(oxolan-3-yl)butanoic acid is sourced from PubChem (CID 63154797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).