3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid

C6H10F3O3P — CID 155821702

IUPAC3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid
SMILESCP(C)(=O)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-13(2,12)4(3-5(10)11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyUUSFXCKHKNFNAI-UHFFFAOYSA-N
MW218.11 g/mol
LogP2.01
Rot. Bonds3

About 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid

3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid (PubChem CID 155821702) has the molecular formula C6H10F3O3P and a molecular weight of 218.11 g/mol. Its IUPAC name is 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid
PubChem CID155821702
Molecular FormulaC6H10F3O3P
Molecular Weight218.11 g/mol
Exact Mass218.03
IUPAC Name3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid
SMILESCP(C)(=O)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C6H10F3O3P/c1-13(2,12)4(3-5(10)11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)
InChIKeyUUSFXCKHKNFNAI-UHFFFAOYSA-N
XLogP2.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.11
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid (CID 155821702) is 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid is CP(C)(=O)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid?
The InChIKey is UUSFXCKHKNFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3O3P/c1-13(2,12)4(3-5(10)11)6(7,8)9/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid?
3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid has a molecular weight of 218.11 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphoryl-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 155821702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).