N'-fluoro-N-(3-methoxypropyl)butanediamide

C8H15FN2O3 — CID 59335540

IUPACN'-fluoro-N-(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)CCC(=O)NF
InChIInChI=1S/C8H15FN2O3/c1-14-6-2-5-10-7(12)3-4-8(13)11-9/h2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyIEMKGSUVWYDFFP-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.08
Rot. Bonds7

About N'-fluoro-N-(3-methoxypropyl)butanediamide

N'-fluoro-N-(3-methoxypropyl)butanediamide (PubChem CID 59335540) has the molecular formula C8H15FN2O3 and a molecular weight of 206.22 g/mol. Its IUPAC name is N'-fluoro-N-(3-methoxypropyl)butanediamide.

Molecular Properties

Compound NameN'-fluoro-N-(3-methoxypropyl)butanediamide
PubChem CID59335540
Molecular FormulaC8H15FN2O3
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC NameN'-fluoro-N-(3-methoxypropyl)butanediamide
SMILESCOCCCNC(=O)CCC(=O)NF
InChIInChI=1S/C8H15FN2O3/c1-14-6-2-5-10-7(12)3-4-8(13)11-9/h2-6H2,1H3,(H,10,12)(H,11,13)
InChIKeyIEMKGSUVWYDFFP-UHFFFAOYSA-N
XLogP-0.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-fluoro-N-(3-methoxypropyl)butanediamide?
The IUPAC name of N'-fluoro-N-(3-methoxypropyl)butanediamide (CID 59335540) is N'-fluoro-N-(3-methoxypropyl)butanediamide.
What is the SMILES notation for N'-fluoro-N-(3-methoxypropyl)butanediamide?
The canonical SMILES for N'-fluoro-N-(3-methoxypropyl)butanediamide is COCCCNC(=O)CCC(=O)NF.
What is the InChIKey of N'-fluoro-N-(3-methoxypropyl)butanediamide?
The InChIKey is IEMKGSUVWYDFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O3/c1-14-6-2-5-10-7(12)3-4-8(13)11-9/h2-6H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N'-fluoro-N-(3-methoxypropyl)butanediamide?
N'-fluoro-N-(3-methoxypropyl)butanediamide has a molecular weight of 206.22 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-fluoro-N-(3-methoxypropyl)butanediamide is sourced from PubChem (CID 59335540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).