1-fluorohexane;fluoromethyl hypofluorite

C7H15F3O — CID 54466790

IUPAC1-fluorohexane;fluoromethyl hypofluorite
SMILESCCCCCCF.FCOF
InChIInChI=1S/C6H13F.CH2F2O/c1-2-3-4-5-6-7;2-1-4-3/h2-6H2,1H3;1H2
InChIKeyXFLLBGCJYUEQEK-UHFFFAOYSA-N
MW172.19 g/mol
LogP3.35
Rot. Bonds5

About 1-fluorohexane;fluoromethyl hypofluorite

1-fluorohexane;fluoromethyl hypofluorite (PubChem CID 54466790) has the molecular formula C7H15F3O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-fluorohexane;fluoromethyl hypofluorite.

Molecular Properties

Compound Name1-fluorohexane;fluoromethyl hypofluorite
PubChem CID54466790
Molecular FormulaC7H15F3O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC Name1-fluorohexane;fluoromethyl hypofluorite
SMILESCCCCCCF.FCOF
InChIInChI=1S/C6H13F.CH2F2O/c1-2-3-4-5-6-7;2-1-4-3/h2-6H2,1H3;1H2
InChIKeyXFLLBGCJYUEQEK-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 53.35
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 1-fluorohexane;fluoromethyl hypofluorite?
The IUPAC name of 1-fluorohexane;fluoromethyl hypofluorite (CID 54466790) is 1-fluorohexane;fluoromethyl hypofluorite.
What is the SMILES notation for 1-fluorohexane;fluoromethyl hypofluorite?
The canonical SMILES for 1-fluorohexane;fluoromethyl hypofluorite is CCCCCCF.FCOF.
What is the InChIKey of 1-fluorohexane;fluoromethyl hypofluorite?
The InChIKey is XFLLBGCJYUEQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F.CH2F2O/c1-2-3-4-5-6-7;2-1-4-3/h2-6H2,1H3;1H2.
What are the key properties of 1-fluorohexane;fluoromethyl hypofluorite?
1-fluorohexane;fluoromethyl hypofluorite has a molecular weight of 172.19 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohexane;fluoromethyl hypofluorite is sourced from PubChem (CID 54466790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).