1-(6-fluorohexan-2-yl)-2-methylcyclobutene

C11H19F — CID 146419892

IUPAC1-(6-fluorohexan-2-yl)-2-methylcyclobutene
SMILESCC1=C(C(C)CCCCF)CC1
InChIInChI=1S/C11H19F/c1-9(5-3-4-8-12)11-7-6-10(11)2/h9H,3-8H2,1-2H3
InChIKeyQBUKIYJHCOEYOV-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.87
Rot. Bonds5

About 1-(6-fluorohexan-2-yl)-2-methylcyclobutene

1-(6-fluorohexan-2-yl)-2-methylcyclobutene (PubChem CID 146419892) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 1-(6-fluorohexan-2-yl)-2-methylcyclobutene.

Molecular Properties

Compound Name1-(6-fluorohexan-2-yl)-2-methylcyclobutene
PubChem CID146419892
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name1-(6-fluorohexan-2-yl)-2-methylcyclobutene
SMILESCC1=C(C(C)CCCCF)CC1
InChIInChI=1S/C11H19F/c1-9(5-3-4-8-12)11-7-6-10(11)2/h9H,3-8H2,1-2H3
InChIKeyQBUKIYJHCOEYOV-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorohexan-2-yl)-2-methylcyclobutene?
The IUPAC name of 1-(6-fluorohexan-2-yl)-2-methylcyclobutene (CID 146419892) is 1-(6-fluorohexan-2-yl)-2-methylcyclobutene.
What is the SMILES notation for 1-(6-fluorohexan-2-yl)-2-methylcyclobutene?
The canonical SMILES for 1-(6-fluorohexan-2-yl)-2-methylcyclobutene is CC1=C(C(C)CCCCF)CC1.
What is the InChIKey of 1-(6-fluorohexan-2-yl)-2-methylcyclobutene?
The InChIKey is QBUKIYJHCOEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-9(5-3-4-8-12)11-7-6-10(11)2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(6-fluorohexan-2-yl)-2-methylcyclobutene?
1-(6-fluorohexan-2-yl)-2-methylcyclobutene has a molecular weight of 170.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorohexan-2-yl)-2-methylcyclobutene is sourced from PubChem (CID 146419892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).