3-(3-propoxypropanoylamino)propanoyl fluoride

C9H16FNO3 — CID 154676687

IUPAC3-(3-propoxypropanoylamino)propanoyl fluoride
SMILESCCCOCCC(=O)NCCC(=O)F
InChIInChI=1S/C9H16FNO3/c1-2-6-14-7-4-9(13)11-5-3-8(10)12/h2-7H2,1H3,(H,11,13)
InChIKeyYCRRJTAWSNQIQL-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.81
Rot. Bonds8

About 3-(3-propoxypropanoylamino)propanoyl fluoride

3-(3-propoxypropanoylamino)propanoyl fluoride (PubChem CID 154676687) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-(3-propoxypropanoylamino)propanoyl fluoride.

Molecular Properties

Compound Name3-(3-propoxypropanoylamino)propanoyl fluoride
PubChem CID154676687
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name3-(3-propoxypropanoylamino)propanoyl fluoride
SMILESCCCOCCC(=O)NCCC(=O)F
InChIInChI=1S/C9H16FNO3/c1-2-6-14-7-4-9(13)11-5-3-8(10)12/h2-7H2,1H3,(H,11,13)
InChIKeyYCRRJTAWSNQIQL-UHFFFAOYSA-N
XLogP0.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropanoylamino)propanoyl fluoride?
The IUPAC name of 3-(3-propoxypropanoylamino)propanoyl fluoride (CID 154676687) is 3-(3-propoxypropanoylamino)propanoyl fluoride.
What is the SMILES notation for 3-(3-propoxypropanoylamino)propanoyl fluoride?
The canonical SMILES for 3-(3-propoxypropanoylamino)propanoyl fluoride is CCCOCCC(=O)NCCC(=O)F.
What is the InChIKey of 3-(3-propoxypropanoylamino)propanoyl fluoride?
The InChIKey is YCRRJTAWSNQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-2-6-14-7-4-9(13)11-5-3-8(10)12/h2-7H2,1H3,(H,11,13).
What are the key properties of 3-(3-propoxypropanoylamino)propanoyl fluoride?
3-(3-propoxypropanoylamino)propanoyl fluoride has a molecular weight of 205.23 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropanoylamino)propanoyl fluoride is sourced from PubChem (CID 154676687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).