1-fluorobicyclo[2.2.0]hexane

C6H9F — CID 91806231

IUPAC1-fluorobicyclo[2.2.0]hexane
SMILESFC12CCC1CC2
InChIInChI=1S/C6H9F/c7-6-3-1-5(6)2-4-6/h5H,1-4H2
InChIKeyRNJJVASEYVRQOH-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.90
Rot. Bonds

About 1-fluorobicyclo[2.2.0]hexane

1-fluorobicyclo[2.2.0]hexane (PubChem CID 91806231) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-fluorobicyclo[2.2.0]hexane.

Molecular Properties

Compound Name1-fluorobicyclo[2.2.0]hexane
PubChem CID91806231
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name1-fluorobicyclo[2.2.0]hexane
SMILESFC12CCC1CC2
InChIInChI=1S/C6H9F/c7-6-3-1-5(6)2-4-6/h5H,1-4H2
InChIKeyRNJJVASEYVRQOH-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobicyclo[2.2.0]hexane?
The IUPAC name of 1-fluorobicyclo[2.2.0]hexane (CID 91806231) is 1-fluorobicyclo[2.2.0]hexane.
What is the SMILES notation for 1-fluorobicyclo[2.2.0]hexane?
The canonical SMILES for 1-fluorobicyclo[2.2.0]hexane is FC12CCC1CC2.
What is the InChIKey of 1-fluorobicyclo[2.2.0]hexane?
The InChIKey is RNJJVASEYVRQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c7-6-3-1-5(6)2-4-6/h5H,1-4H2.
What are the key properties of 1-fluorobicyclo[2.2.0]hexane?
1-fluorobicyclo[2.2.0]hexane has a molecular weight of 100.14 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobicyclo[2.2.0]hexane is sourced from PubChem (CID 91806231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).