[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane

C12H26FNO3 — CID 168888423

IUPAC[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane
SMILESCC(=O)NCCCCC(CO)COF.CCC
InChIInChI=1S/C9H18FNO3.C3H8/c1-8(13)11-5-3-2-4-9(6-12)7-14-10;1-3-2/h9,12H,2-7H2,1H3,(H,11,13);3H2,1-2H3
InChIKeyGQTXRZPTRAZMSP-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.22
Rot. Bonds8

About [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane

[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane (PubChem CID 168888423) has the molecular formula C12H26FNO3 and a molecular weight of 251.34 g/mol. Its IUPAC name is [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane.

Molecular Properties

Compound Name[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane
PubChem CID168888423
Molecular FormulaC12H26FNO3
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane
SMILESCC(=O)NCCCCC(CO)COF.CCC
InChIInChI=1S/C9H18FNO3.C3H8/c1-8(13)11-5-3-2-4-9(6-12)7-14-10;1-3-2/h9,12H,2-7H2,1H3,(H,11,13);3H2,1-2H3
InChIKeyGQTXRZPTRAZMSP-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane
CID 153371017
[6-[6-(6-acetamidohexanoylamino)hexanoylamino]-2-(hydroxymethyl)hexyl] methyl hydrogen phosphite
CID 156747644
N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
CID 153371112
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
N-(5-acetamidoheptyl)acetamide
CID 59001684
(2S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-2,5-bis(propanoylamino)pentanamide
CID 159171513
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[(5R)-8-methyl-7-oxo-5-[(propan-2-ylamino)methyl]nonyl]acetamide
CID 177080596
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499

Frequently Asked Questions

What is the IUPAC name of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane?
The IUPAC name of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane (CID 168888423) is [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane.
What is the SMILES notation for [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane?
The canonical SMILES for [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane is CC(=O)NCCCCC(CO)COF.CCC.
What is the InChIKey of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane?
The InChIKey is GQTXRZPTRAZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3.C3H8/c1-8(13)11-5-3-2-4-9(6-12)7-14-10;1-3-2/h9,12H,2-7H2,1H3,(H,11,13);3H2,1-2H3.
What are the key properties of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane?
[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane has a molecular weight of 251.34 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;propane is sourced from PubChem (CID 168888423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).