3-aminopropanoyl fluoride

C3H6FNO — CID 141326128

IUPAC3-aminopropanoyl fluoride
SMILESNCCC(=O)F
InChIInChI=1S/C3H6FNO/c4-3(6)1-2-5/h1-2,5H2
InChIKeyOUYZDICFVVCXKU-UHFFFAOYSA-N
MW91.08 g/mol
LogP-0.17
Rot. Bonds2

About 3-aminopropanoyl fluoride

3-aminopropanoyl fluoride (PubChem CID 141326128) has the molecular formula C3H6FNO and a molecular weight of 91.08 g/mol. Its IUPAC name is 3-aminopropanoyl fluoride.

Molecular Properties

Compound Name3-aminopropanoyl fluoride
PubChem CID141326128
Molecular FormulaC3H6FNO
Molecular Weight91.08 g/mol
Exact Mass91.04
IUPAC Name3-aminopropanoyl fluoride
SMILESNCCC(=O)F
InChIInChI=1S/C3H6FNO/c4-3(6)1-2-5/h1-2,5H2
InChIKeyOUYZDICFVVCXKU-UHFFFAOYSA-N
XLogP-0.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.08
LogP ≤ 5-0.17
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

pentanedioyl difluoride
CID 13299233
3-(15N)azanyl(113C)propanoic acid
CID 11366951
3-amino-N-methylidenepropanamide
CID 154535645
3-aminopropanoyl chloride
CID 11217318
CID 87057822
CID 87057822
4-aminobutan-2-one;zinc
CID 163742307
azanium 3-aminopropanoate
CID 156782733
calcium bis(3-aminopropanoate)
CID 135001381
zinc bis(3-aminopropanoate)
CID 87686720
carbonic acid;bis(ethane-1,2-diamine)
CID 174908365
carbonic acid;ethane-1,2-diamine
CID 22445535
carbonic acid;tris(ethane-1,2-diamine)
CID 173023593

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoyl fluoride?
The IUPAC name of 3-aminopropanoyl fluoride (CID 141326128) is 3-aminopropanoyl fluoride.
What is the SMILES notation for 3-aminopropanoyl fluoride?
The canonical SMILES for 3-aminopropanoyl fluoride is NCCC(=O)F.
What is the InChIKey of 3-aminopropanoyl fluoride?
The InChIKey is OUYZDICFVVCXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO/c4-3(6)1-2-5/h1-2,5H2.
What are the key properties of 3-aminopropanoyl fluoride?
3-aminopropanoyl fluoride has a molecular weight of 91.08 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoyl fluoride is sourced from PubChem (CID 141326128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).