(3-methoxy-2-methylpentan-3-yl) hypofluorite

C7H15FO2 — CID 176654507

IUPAC(3-methoxy-2-methylpentan-3-yl) hypofluorite
SMILESCCC(OC)(OF)C(C)C
InChIInChI=1S/C7H15FO2/c1-5-7(9-4,10-8)6(2)3/h6H,5H2,1-4H3
InChIKeySGGKZXYBWBZGDA-UHFFFAOYSA-N
MW150.19 g/mol
LogP2.30
Rot. Bonds4

About (3-methoxy-2-methylpentan-3-yl) hypofluorite

(3-methoxy-2-methylpentan-3-yl) hypofluorite (PubChem CID 176654507) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is (3-methoxy-2-methylpentan-3-yl) hypofluorite.

Molecular Properties

Compound Name(3-methoxy-2-methylpentan-3-yl) hypofluorite
PubChem CID176654507
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name(3-methoxy-2-methylpentan-3-yl) hypofluorite
SMILESCCC(OC)(OF)C(C)C
InChIInChI=1S/C7H15FO2/c1-5-7(9-4,10-8)6(2)3/h6H,5H2,1-4H3
InChIKeySGGKZXYBWBZGDA-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-Dimethoxy-2,4-dimethylpentane
CID 10953811
3,3-Dimethoxy-2-methylpentane
CID 12538065

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-methylpentan-3-yl) hypofluorite?
The IUPAC name of (3-methoxy-2-methylpentan-3-yl) hypofluorite (CID 176654507) is (3-methoxy-2-methylpentan-3-yl) hypofluorite.
What is the SMILES notation for (3-methoxy-2-methylpentan-3-yl) hypofluorite?
The canonical SMILES for (3-methoxy-2-methylpentan-3-yl) hypofluorite is CCC(OC)(OF)C(C)C.
What is the InChIKey of (3-methoxy-2-methylpentan-3-yl) hypofluorite?
The InChIKey is SGGKZXYBWBZGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2/c1-5-7(9-4,10-8)6(2)3/h6H,5H2,1-4H3.
What are the key properties of (3-methoxy-2-methylpentan-3-yl) hypofluorite?
(3-methoxy-2-methylpentan-3-yl) hypofluorite has a molecular weight of 150.19 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-methylpentan-3-yl) hypofluorite is sourced from PubChem (CID 176654507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).