hexyl hypofluorite

C6H13FO — CID 59366593

IUPAChexyl hypofluorite
SMILESCCCCCCOF
InChIInChI=1S/C6H13FO/c1-2-3-4-5-6-8-7/h2-6H2,1H3
InChIKeyUQIJOBDVZCNFAM-UHFFFAOYSA-N
MW120.17 g/mol
LogP2.47
Rot. Bonds5

About hexyl hypofluorite

hexyl hypofluorite (PubChem CID 59366593) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is hexyl hypofluorite.

Molecular Properties

Compound Namehexyl hypofluorite
PubChem CID59366593
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Namehexyl hypofluorite
SMILESCCCCCCOF
InChIInChI=1S/C6H13FO/c1-2-3-4-5-6-8-7/h2-6H2,1H3
InChIKeyUQIJOBDVZCNFAM-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 hexyl hypofluorite?
The IUPAC name of hexyl hypofluorite (CID 59366593) is hexyl hypofluorite.
What is the SMILES notation for hexyl hypofluorite?
The canonical SMILES for hexyl hypofluorite is CCCCCCOF.
What is the InChIKey of hexyl hypofluorite?
The InChIKey is UQIJOBDVZCNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-2-3-4-5-6-8-7/h2-6H2,1H3.
What are the key properties of hexyl hypofluorite?
hexyl hypofluorite has a molecular weight of 120.17 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl hypofluorite is sourced from PubChem (CID 59366593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).