3-hydroxy-2,2-dimethylpropanoyl fluoride

C5H9FO2 — CID 88893528

IUPAC3-hydroxy-2,2-dimethylpropanoyl fluoride
SMILESCC(C)(CO)C(=O)F
InChIInChI=1S/C5H9FO2/c1-5(2,3-7)4(6)8/h7H,3H2,1-2H3
InChIKeyDNROURHIDPHLGA-UHFFFAOYSA-N
MW120.12 g/mol
LogP0.50
Rot. Bonds2

About 3-hydroxy-2,2-dimethylpropanoyl fluoride

3-hydroxy-2,2-dimethylpropanoyl fluoride (PubChem CID 88893528) has the molecular formula C5H9FO2 and a molecular weight of 120.12 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethylpropanoyl fluoride.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethylpropanoyl fluoride
PubChem CID88893528
Molecular FormulaC5H9FO2
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name3-hydroxy-2,2-dimethylpropanoyl fluoride
SMILESCC(C)(CO)C(=O)F
InChIInChI=1S/C5H9FO2/c1-5(2,3-7)4(6)8/h7H,3H2,1-2H3
InChIKeyDNROURHIDPHLGA-UHFFFAOYSA-N
XLogP0.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethylpropanoyl fluoride?
The IUPAC name of 3-hydroxy-2,2-dimethylpropanoyl fluoride (CID 88893528) is 3-hydroxy-2,2-dimethylpropanoyl fluoride.
What is the SMILES notation for 3-hydroxy-2,2-dimethylpropanoyl fluoride?
The canonical SMILES for 3-hydroxy-2,2-dimethylpropanoyl fluoride is CC(C)(CO)C(=O)F.
What is the InChIKey of 3-hydroxy-2,2-dimethylpropanoyl fluoride?
The InChIKey is DNROURHIDPHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO2/c1-5(2,3-7)4(6)8/h7H,3H2,1-2H3.
What are the key properties of 3-hydroxy-2,2-dimethylpropanoyl fluoride?
3-hydroxy-2,2-dimethylpropanoyl fluoride has a molecular weight of 120.12 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethylpropanoyl fluoride is sourced from PubChem (CID 88893528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).