2-(methylamino)propanoyl fluoride

C4H8FNO — CID 76622877

IUPAC2-(methylamino)propanoyl fluoride
SMILESCNC(C)C(=O)F
InChIInChI=1S/C4H8FNO/c1-3(6-2)4(5)7/h3,6H,1-2H3
InChIKeyJYCVSKHNHIXGIF-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.09
Rot. Bonds2

About 2-(methylamino)propanoyl fluoride

2-(methylamino)propanoyl fluoride (PubChem CID 76622877) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 2-(methylamino)propanoyl fluoride.

Molecular Properties

Compound Name2-(methylamino)propanoyl fluoride
PubChem CID76622877
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name2-(methylamino)propanoyl fluoride
SMILESCNC(C)C(=O)F
InChIInChI=1S/C4H8FNO/c1-3(6-2)4(5)7/h3,6H,1-2H3
InChIKeyJYCVSKHNHIXGIF-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylamino-3-butanone
CID 21639832
(3S)-3-(methylamino)butan-2-one
CID 29920158
1,1,1-Trifluoro-3-(methylamino)butan-2-one
CID 18721931
1-Fluoro-3-(methylamino)pentan-2-one
CID 21137007
(2S)-2-(methylamino)propanoyl fluoride
CID 57602084
(4S)-2-fluoro-4-(methylamino)pentan-3-one
CID 122674507
2-(Tert-butylamino)acetyl fluoride
CID 156775944
Molecular hydrogen;1,1,1-trifluoro-3-(methylamino)butan-2-one
CID 162225982
3-(2-Fluoroethylamino)butan-2-one
CID 166868167
2-(Methylamino)pentanoyl fluoride
CID 170597549
(2S)-2-(methylamino)pentanoyl fluoride
CID 175991626
CID 135036588
CID 135036588

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)propanoyl fluoride?
The IUPAC name of 2-(methylamino)propanoyl fluoride (CID 76622877) is 2-(methylamino)propanoyl fluoride.
What is the SMILES notation for 2-(methylamino)propanoyl fluoride?
The canonical SMILES for 2-(methylamino)propanoyl fluoride is CNC(C)C(=O)F.
What is the InChIKey of 2-(methylamino)propanoyl fluoride?
The InChIKey is JYCVSKHNHIXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-3(6-2)4(5)7/h3,6H,1-2H3.
What are the key properties of 2-(methylamino)propanoyl fluoride?
2-(methylamino)propanoyl fluoride has a molecular weight of 105.11 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)propanoyl fluoride is sourced from PubChem (CID 76622877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).