3-(dimethylamino)-2-methylpropanoyl fluoride

C6H12FNO — CID 139608244

IUPAC3-(dimethylamino)-2-methylpropanoyl fluoride
SMILESCC(CN(C)C)C(=O)F
InChIInChI=1S/C6H12FNO/c1-5(6(7)9)4-8(2)3/h5H,4H2,1-3H3
InChIKeyRGKZWTSWLRJYBZ-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.68
Rot. Bonds3

About 3-(dimethylamino)-2-methylpropanoyl fluoride

3-(dimethylamino)-2-methylpropanoyl fluoride (PubChem CID 139608244) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylpropanoyl fluoride.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylpropanoyl fluoride
PubChem CID139608244
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-(dimethylamino)-2-methylpropanoyl fluoride
SMILESCC(CN(C)C)C(=O)F
InChIInChI=1S/C6H12FNO/c1-5(6(7)9)4-8(2)3/h5H,4H2,1-3H3
InChIKeyRGKZWTSWLRJYBZ-UHFFFAOYSA-N
XLogP0.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.68
H-Bond Donors ≤ 50
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-(dimethylamino)-2-methylpropanoyl fluoride?
The IUPAC name of 3-(dimethylamino)-2-methylpropanoyl fluoride (CID 139608244) is 3-(dimethylamino)-2-methylpropanoyl fluoride.
What is the SMILES notation for 3-(dimethylamino)-2-methylpropanoyl fluoride?
The canonical SMILES for 3-(dimethylamino)-2-methylpropanoyl fluoride is CC(CN(C)C)C(=O)F.
What is the InChIKey of 3-(dimethylamino)-2-methylpropanoyl fluoride?
The InChIKey is RGKZWTSWLRJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-5(6(7)9)4-8(2)3/h5H,4H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methylpropanoyl fluoride?
3-(dimethylamino)-2-methylpropanoyl fluoride has a molecular weight of 133.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylpropanoyl fluoride is sourced from PubChem (CID 139608244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).