N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide

C9H20FN3O2 — CID 166461529

IUPACN-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCNN
InChIInChI=1S/C9H20FN3O2/c1-7(14)12-6-8(10)9(2,3)15-5-4-13-11/h8,13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyJJKWDINOBSEKIE-UHFFFAOYSA-N
MW221.28 g/mol
LogP-0.28
Rot. Bonds7

About N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide

N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide (PubChem CID 166461529) has the molecular formula C9H20FN3O2 and a molecular weight of 221.28 g/mol. Its IUPAC name is N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide
PubChem CID166461529
Molecular FormulaC9H20FN3O2
Molecular Weight221.28 g/mol
Exact Mass221.15
IUPAC NameN-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide
SMILESCC(=O)NCC(F)C(C)(C)OCCNN
InChIInChI=1S/C9H20FN3O2/c1-7(14)12-6-8(10)9(2,3)15-5-4-13-11/h8,13H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyJJKWDINOBSEKIE-UHFFFAOYSA-N
XLogP-0.28
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide?
The IUPAC name of N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide (CID 166461529) is N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide is CC(=O)NCC(F)C(C)(C)OCCNN.
What is the InChIKey of N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide?
The InChIKey is JJKWDINOBSEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN3O2/c1-7(14)12-6-8(10)9(2,3)15-5-4-13-11/h8,13H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide?
N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide has a molecular weight of 221.28 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(2-hydrazinylethoxy)-3-methylbutyl]acetamide is sourced from PubChem (CID 166461529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).