4-methylpent-1-en-2-yl hypofluorite

C6H11FO — CID 88829761

IUPAC4-methylpent-1-en-2-yl hypofluorite
SMILESC=C(CC(C)C)OF
InChIInChI=1S/C6H11FO/c1-5(2)4-6(3)8-7/h5H,3-4H2,1-2H3
InChIKeyBEHQHKLSROKYRP-UHFFFAOYSA-N
MW118.15 g/mol
LogP2.45
Rot. Bonds3

About 4-methylpent-1-en-2-yl hypofluorite

4-methylpent-1-en-2-yl hypofluorite (PubChem CID 88829761) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 4-methylpent-1-en-2-yl hypofluorite.

Molecular Properties

Compound Name4-methylpent-1-en-2-yl hypofluorite
PubChem CID88829761
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name4-methylpent-1-en-2-yl hypofluorite
SMILESC=C(CC(C)C)OF
InChIInChI=1S/C6H11FO/c1-5(2)4-6(3)8-7/h5H,3-4H2,1-2H3
InChIKeyBEHQHKLSROKYRP-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-2-yl hypofluorite?
The IUPAC name of 4-methylpent-1-en-2-yl hypofluorite (CID 88829761) is 4-methylpent-1-en-2-yl hypofluorite.
What is the SMILES notation for 4-methylpent-1-en-2-yl hypofluorite?
The canonical SMILES for 4-methylpent-1-en-2-yl hypofluorite is C=C(CC(C)C)OF.
What is the InChIKey of 4-methylpent-1-en-2-yl hypofluorite?
The InChIKey is BEHQHKLSROKYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-5(2)4-6(3)8-7/h5H,3-4H2,1-2H3.
What are the key properties of 4-methylpent-1-en-2-yl hypofluorite?
4-methylpent-1-en-2-yl hypofluorite has a molecular weight of 118.15 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-en-2-yl hypofluorite is sourced from PubChem (CID 88829761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).