2-(dimethylamino)propanoyl fluoride;hydrofluoride

C5H11F2NO — CID 19898075

IUPAC2-(dimethylamino)propanoyl fluoride;hydrofluoride
SMILESCC(C(=O)F)N(C)C.F
InChIInChI=1S/C5H10FNO.FH/c1-4(5(6)8)7(2)3;/h4H,1-3H3;1H
InChIKeyOCJGDAVLOJODHP-UHFFFAOYSA-N
MW139.14 g/mol
LogP0.59
Rot. Bonds2

About 2-(dimethylamino)propanoyl fluoride;hydrofluoride

2-(dimethylamino)propanoyl fluoride;hydrofluoride (PubChem CID 19898075) has the molecular formula C5H11F2NO and a molecular weight of 139.14 g/mol. Its IUPAC name is 2-(dimethylamino)propanoyl fluoride;hydrofluoride.

Molecular Properties

Compound Name2-(dimethylamino)propanoyl fluoride;hydrofluoride
PubChem CID19898075
Molecular FormulaC5H11F2NO
Molecular Weight139.14 g/mol
Exact Mass139.08
IUPAC Name2-(dimethylamino)propanoyl fluoride;hydrofluoride
SMILESCC(C(=O)F)N(C)C.F
InChIInChI=1S/C5H10FNO.FH/c1-4(5(6)8)7(2)3;/h4H,1-3H3;1H
InChIKeyOCJGDAVLOJODHP-UHFFFAOYSA-N
XLogP0.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)propanoyl fluoride;hydrofluoride
CID 88650459
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CID 162112178
methyl (2R)-2-(dimethylamino)propanoate
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acetic acid;2-(dimethylamino)propanoic acid;guanidine
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoyl fluoride;hydrofluoride?
The IUPAC name of 2-(dimethylamino)propanoyl fluoride;hydrofluoride (CID 19898075) is 2-(dimethylamino)propanoyl fluoride;hydrofluoride.
What is the SMILES notation for 2-(dimethylamino)propanoyl fluoride;hydrofluoride?
The canonical SMILES for 2-(dimethylamino)propanoyl fluoride;hydrofluoride is CC(C(=O)F)N(C)C.F.
What is the InChIKey of 2-(dimethylamino)propanoyl fluoride;hydrofluoride?
The InChIKey is OCJGDAVLOJODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO.FH/c1-4(5(6)8)7(2)3;/h4H,1-3H3;1H.
What are the key properties of 2-(dimethylamino)propanoyl fluoride;hydrofluoride?
2-(dimethylamino)propanoyl fluoride;hydrofluoride has a molecular weight of 139.14 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoyl fluoride;hydrofluoride is sourced from PubChem (CID 19898075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).