5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane

C11H17F — CID 166840997

IUPAC5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane
SMILESCC(=C1CC2(CC2)C1)C(C)(C)F
InChIInChI=1S/C11H17F/c1-8(10(2,3)12)9-6-11(7-9)4-5-11/h4-7H2,1-3H3
InChIKeyXOXADUCJKXOONO-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.62
Rot. Bonds1

About 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane

5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane (PubChem CID 166840997) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane.

Molecular Properties

Compound Name5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane
PubChem CID166840997
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane
SMILESCC(=C1CC2(CC2)C1)C(C)(C)F
InChIInChI=1S/C11H17F/c1-8(10(2,3)12)9-6-11(7-9)4-5-11/h4-7H2,1-3H3
InChIKeyXOXADUCJKXOONO-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane?
The IUPAC name of 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane (CID 166840997) is 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane.
What is the SMILES notation for 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane?
The canonical SMILES for 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane is CC(=C1CC2(CC2)C1)C(C)(C)F.
What is the InChIKey of 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane?
The InChIKey is XOXADUCJKXOONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c1-8(10(2,3)12)9-6-11(7-9)4-5-11/h4-7H2,1-3H3.
What are the key properties of 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane?
5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane has a molecular weight of 168.25 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-3-methylbutan-2-ylidene)spiro[2.3]hexane is sourced from PubChem (CID 166840997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).