1-cyclobutyl-5-fluorocyclopenta-1,3-diene

C9H11F — CID 18520924

IUPAC1-cyclobutyl-5-fluorocyclopenta-1,3-diene
SMILESFC1C=CC=C1C1CCC1
InChIInChI=1S/C9H11F/c10-9-6-2-5-8(9)7-3-1-4-7/h2,5-7,9H,1,3-4H2
InChIKeySIUUDMJGPOEEDC-UHFFFAOYSA-N
MW138.19 g/mol
LogP2.62
Rot. Bonds1

About 1-cyclobutyl-5-fluorocyclopenta-1,3-diene

1-cyclobutyl-5-fluorocyclopenta-1,3-diene (PubChem CID 18520924) has the molecular formula C9H11F and a molecular weight of 138.19 g/mol. Its IUPAC name is 1-cyclobutyl-5-fluorocyclopenta-1,3-diene.

Molecular Properties

Compound Name1-cyclobutyl-5-fluorocyclopenta-1,3-diene
PubChem CID18520924
Molecular FormulaC9H11F
Molecular Weight138.19 g/mol
Exact Mass138.08
IUPAC Name1-cyclobutyl-5-fluorocyclopenta-1,3-diene
SMILESFC1C=CC=C1C1CCC1
InChIInChI=1S/C9H11F/c10-9-6-2-5-8(9)7-3-1-4-7/h2,5-7,9H,1,3-4H2
InChIKeySIUUDMJGPOEEDC-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-fluorocyclopenta-1,3-diene?
The IUPAC name of 1-cyclobutyl-5-fluorocyclopenta-1,3-diene (CID 18520924) is 1-cyclobutyl-5-fluorocyclopenta-1,3-diene.
What is the SMILES notation for 1-cyclobutyl-5-fluorocyclopenta-1,3-diene?
The canonical SMILES for 1-cyclobutyl-5-fluorocyclopenta-1,3-diene is FC1C=CC=C1C1CCC1.
What is the InChIKey of 1-cyclobutyl-5-fluorocyclopenta-1,3-diene?
The InChIKey is SIUUDMJGPOEEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c10-9-6-2-5-8(9)7-3-1-4-7/h2,5-7,9H,1,3-4H2.
What are the key properties of 1-cyclobutyl-5-fluorocyclopenta-1,3-diene?
1-cyclobutyl-5-fluorocyclopenta-1,3-diene has a molecular weight of 138.19 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-fluorocyclopenta-1,3-diene is sourced from PubChem (CID 18520924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).