[2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite

C11H17FO2 — CID 146209464

IUPAC[2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite
SMILESC=C1C(COF)CCC1C(C)C(C)=O
InChIInChI=1S/C11H17FO2/c1-7(9(3)13)11-5-4-10(6-14-12)8(11)2/h7,10-11H,2,4-6H2,1,3H3
InChIKeyFYKCHNWLILBHLB-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.69
Rot. Bonds4

About [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite

[2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite (PubChem CID 146209464) has the molecular formula C11H17FO2 and a molecular weight of 200.25 g/mol. Its IUPAC name is [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite.

Molecular Properties

Compound Name[2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite
PubChem CID146209464
Molecular FormulaC11H17FO2
Molecular Weight200.25 g/mol
Exact Mass200.12
IUPAC Name[2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite
SMILESC=C1C(COF)CCC1C(C)C(C)=O
InChIInChI=1S/C11H17FO2/c1-7(9(3)13)11-5-4-10(6-14-12)8(11)2/h7,10-11H,2,4-6H2,1,3H3
InChIKeyFYKCHNWLILBHLB-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite?
The IUPAC name of [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite (CID 146209464) is [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite.
What is the SMILES notation for [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite?
The canonical SMILES for [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite is C=C1C(COF)CCC1C(C)C(C)=O.
What is the InChIKey of [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite?
The InChIKey is FYKCHNWLILBHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO2/c1-7(9(3)13)11-5-4-10(6-14-12)8(11)2/h7,10-11H,2,4-6H2,1,3H3.
What are the key properties of [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite?
[2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite has a molecular weight of 200.25 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylidene-3-(3-oxobutan-2-yl)cyclopentyl]methyl hypofluorite is sourced from PubChem (CID 146209464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).