7-(4,4-dimethylpentoxy)heptyl hypofluorite

C14H29FO2 — CID 155479331

IUPAC7-(4,4-dimethylpentoxy)heptyl hypofluorite
SMILESCC(C)(C)CCCOCCCCCCCOF
InChIInChI=1S/C14H29FO2/c1-14(2,3)10-9-12-16-11-7-5-4-6-8-13-17-15/h4-13H2,1-3H3
InChIKeyXAFGPOVTHMBYSQ-UHFFFAOYSA-N
MW248.38 g/mol
LogP4.68
Rot. Bonds11

About 7-(4,4-dimethylpentoxy)heptyl hypofluorite

7-(4,4-dimethylpentoxy)heptyl hypofluorite (PubChem CID 155479331) has the molecular formula C14H29FO2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 7-(4,4-dimethylpentoxy)heptyl hypofluorite.

Molecular Properties

Compound Name7-(4,4-dimethylpentoxy)heptyl hypofluorite
PubChem CID155479331
Molecular FormulaC14H29FO2
Molecular Weight248.38 g/mol
Exact Mass248.22
IUPAC Name7-(4,4-dimethylpentoxy)heptyl hypofluorite
SMILESCC(C)(C)CCCOCCCCCCCOF
InChIInChI=1S/C14H29FO2/c1-14(2,3)10-9-12-16-11-7-5-4-6-8-13-17-15/h4-13H2,1-3H3
InChIKeyXAFGPOVTHMBYSQ-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4,4-dimethylpentoxy)heptyl hypofluorite?
The IUPAC name of 7-(4,4-dimethylpentoxy)heptyl hypofluorite (CID 155479331) is 7-(4,4-dimethylpentoxy)heptyl hypofluorite.
What is the SMILES notation for 7-(4,4-dimethylpentoxy)heptyl hypofluorite?
The canonical SMILES for 7-(4,4-dimethylpentoxy)heptyl hypofluorite is CC(C)(C)CCCOCCCCCCCOF.
What is the InChIKey of 7-(4,4-dimethylpentoxy)heptyl hypofluorite?
The InChIKey is XAFGPOVTHMBYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29FO2/c1-14(2,3)10-9-12-16-11-7-5-4-6-8-13-17-15/h4-13H2,1-3H3.
What are the key properties of 7-(4,4-dimethylpentoxy)heptyl hypofluorite?
7-(4,4-dimethylpentoxy)heptyl hypofluorite has a molecular weight of 248.38 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-dimethylpentoxy)heptyl hypofluorite is sourced from PubChem (CID 155479331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).