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

C11H24FNO3 — CID 153371017

IUPAC[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane
SMILESCC.CC(=O)NCCCCC(CO)COF
InChIInChI=1S/C9H18FNO3.C2H6/c1-8(13)11-5-3-2-4-9(6-12)7-14-10;1-2/h9,12H,2-7H2,1H3,(H,11,13);1-2H3
InChIKeyKMENLAYEETVJGA-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.83
Rot. Bonds8

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

[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane (PubChem CID 153371017) has the molecular formula C11H24FNO3 and a molecular weight of 237.31 g/mol. Its IUPAC name is [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane.

Molecular Properties

Compound Name[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane
PubChem CID153371017
Molecular FormulaC11H24FNO3
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane
SMILESCC.CC(=O)NCCCCC(CO)COF
InChIInChI=1S/C9H18FNO3.C2H6/c1-8(13)11-5-3-2-4-9(6-12)7-14-10;1-2/h9,12H,2-7H2,1H3,(H,11,13);1-2H3
InChIKeyKMENLAYEETVJGA-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.83
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;propane
CID 168888423
[6-[6-(6-acetamidohexanoylamino)hexanoylamino]-2-(hydroxymethyl)hexyl] methyl hydrogen phosphite
CID 156747644
ethane;N-(6-methylheptyl)acetamide;molecular hydrogen
CID 145404699
N-[5-(methylamino)-6-oxoheptyl]acetamide
CID 72531046
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
methyl 6-acetamido-2-(methylamino)hexanoate
CID 78438016
N-(3-acetamidopropyl)acetamide
CID 5147555
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-[5-(hydroxymethyl)heptyl]-2-methylpropanamide
CID 153371112
2-[4-(methylamino)butyl]propane-1,3-diol
CID 59502430
6-[4-acetamidobutyl-[6-(2-hexyldecoxycarbonyloxy)hexyl]amino]hexyl 2-hexyldecyl carbonate
CID 167299126
[2-(hydroxymethyl)-6-[[5-(methylamino)-5-oxopentanoyl]amino]hexyl] dimethyl phosphate
CID 168888387

Frequently Asked Questions

What is the IUPAC name of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane?
The IUPAC name of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane (CID 153371017) is [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane.
What is the SMILES notation for [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane?
The canonical SMILES for [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane is CC.CC(=O)NCCCCC(CO)COF.
What is the InChIKey of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane?
The InChIKey is KMENLAYEETVJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO3.C2H6/c1-8(13)11-5-3-2-4-9(6-12)7-14-10;1-2/h9,12H,2-7H2,1H3,(H,11,13);1-2H3.
What are the key properties of [6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane?
[6-acetamido-2-(hydroxymethyl)hexyl] hypofluorite;ethane has a molecular weight of 237.31 g/mol, XLogP of 1.83, 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;ethane is sourced from PubChem (CID 153371017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).