[2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite

C11H22FNO3 — CID 156747429

IUPAC[2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite
SMILESCC(C)NC(=O)CCCCC(CO)COF
InChIInChI=1S/C11H22FNO3/c1-9(2)13-11(15)6-4-3-5-10(7-14)8-16-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyPHOZILKCXXNDSG-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.58
Rot. Bonds9

About [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite

[2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite (PubChem CID 156747429) has the molecular formula C11H22FNO3 and a molecular weight of 235.30 g/mol. Its IUPAC name is [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite.

Molecular Properties

Compound Name[2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite
PubChem CID156747429
Molecular FormulaC11H22FNO3
Molecular Weight235.30 g/mol
Exact Mass235.16
IUPAC Name[2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite
SMILESCC(C)NC(=O)CCCCC(CO)COF
InChIInChI=1S/C11H22FNO3/c1-9(2)13-11(15)6-4-3-5-10(7-14)8-16-12/h9-10,14H,3-8H2,1-2H3,(H,13,15)
InChIKeyPHOZILKCXXNDSG-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.58
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

7-hydroxy-6,6-dimethylheptanoic acid (6-Hydroxy-5,5-dimethylhexyl)-amide
CID 11493181
N-[(2S,3R)-1,3-dihydroxypentadecan-2-yl]-5-methyl-3-(2-methylpropyl)hexanamide
CID 44590343
N-tricosanoyl-15-methylhexadecasphinganine
CID 71581185
N-pentacosanoyl-15-methylhexadecasphinganine
CID 71581214
N-tetracosanoyl-15-methylhexadecasphinganine
CID 71581219
N-tetracosanoyl-14-methylhexadecasphinganine
CID 118797944
N-icosanoyl-14-methylhexadecasphinganine
CID 118797949
N-pentacosanoyl-14-methylhexadecasphinganine
CID 118797952
N-hexacosanoyl-14-methylhexadecasphinganine
CID 118797954
N-docosanoyl-14-methylhexadecasphinganine
CID 118797955
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-(1-(Hydroxymethyl)propyl)isooctadecan-1-amide
CID 18431727

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite?
The IUPAC name of [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite (CID 156747429) is [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite.
What is the SMILES notation for [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite?
The canonical SMILES for [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite is CC(C)NC(=O)CCCCC(CO)COF.
What is the InChIKey of [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite?
The InChIKey is PHOZILKCXXNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO3/c1-9(2)13-11(15)6-4-3-5-10(7-14)8-16-12/h9-10,14H,3-8H2,1-2H3,(H,13,15).
What are the key properties of [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite?
[2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite has a molecular weight of 235.30 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-7-oxo-7-(propan-2-ylamino)heptyl] hypofluorite is sourced from PubChem (CID 156747429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).