3-(dimethylamino)propanoyl fluoride

C5H10FNO — CID 139607788

IUPAC3-(dimethylamino)propanoyl fluoride
SMILESCN(C)CCC(=O)F
InChIInChI=1S/C5H10FNO/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3
InChIKeyOHQXOVKNWMYEFH-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.43
Rot. Bonds3

About 3-(dimethylamino)propanoyl fluoride

3-(dimethylamino)propanoyl fluoride (PubChem CID 139607788) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 3-(dimethylamino)propanoyl fluoride.

Molecular Properties

Compound Name3-(dimethylamino)propanoyl fluoride
PubChem CID139607788
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name3-(dimethylamino)propanoyl fluoride
SMILESCN(C)CCC(=O)F
InChIInChI=1S/C5H10FNO/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3
InChIKeyOHQXOVKNWMYEFH-UHFFFAOYSA-N
XLogP0.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.43
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

3-(Diethylamino)-2-fluoropropanoyl fluoride
CID 88613986
3-(Diethylamino)-3-fluoropropanoyl fluoride
CID 88613987
4-[Ethyl(fluoromethyl)amino]butan-2-one
CID 123642252
4-(Dimethylamino)-3-fluorobutan-2-one
CID 139565609
3-(Diethylamino)propanoyl fluoride
CID 139607789
3-(Dimethylamino)-2-methylpropanoyl fluoride
CID 139608244
3-(Dipropylamino)propanoyl fluoride
CID 153945521
3-(Dibutylamino)propanoyl fluoride
CID 153972716
3-(Diethylamino)propan-1-one;tungsten
CID 57764630
CID 58974204
CID 58974204
3-(Dimethylamino)propanal;fluoromethane
CID 163236166
3-(Diethylamino)propan-1-one
CID 3631845

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanoyl fluoride?
The IUPAC name of 3-(dimethylamino)propanoyl fluoride (CID 139607788) is 3-(dimethylamino)propanoyl fluoride.
What is the SMILES notation for 3-(dimethylamino)propanoyl fluoride?
The canonical SMILES for 3-(dimethylamino)propanoyl fluoride is CN(C)CCC(=O)F.
What is the InChIKey of 3-(dimethylamino)propanoyl fluoride?
The InChIKey is OHQXOVKNWMYEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-7(2)4-3-5(6)8/h3-4H2,1-2H3.
What are the key properties of 3-(dimethylamino)propanoyl fluoride?
3-(dimethylamino)propanoyl fluoride has a molecular weight of 119.14 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanoyl fluoride is sourced from PubChem (CID 139607788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).