1-fluorohexa-2,3-diene

C6H9F — CID 56635820

IUPAC1-fluorohexa-2,3-diene
SMILESCCC=C=CCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h3,5H,2,6H2,1H3
InChIKeyTZJBPVBENULMAI-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.08
Rot. Bonds2

About 1-fluorohexa-2,3-diene

1-fluorohexa-2,3-diene (PubChem CID 56635820) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-fluorohexa-2,3-diene.

Molecular Properties

Compound Name1-fluorohexa-2,3-diene
PubChem CID56635820
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name1-fluorohexa-2,3-diene
SMILESCCC=C=CCF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h3,5H,2,6H2,1H3
InChIKeyTZJBPVBENULMAI-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorohexa-2,3-diene?
The IUPAC name of 1-fluorohexa-2,3-diene (CID 56635820) is 1-fluorohexa-2,3-diene.
What is the SMILES notation for 1-fluorohexa-2,3-diene?
The canonical SMILES for 1-fluorohexa-2,3-diene is CCC=C=CCF.
What is the InChIKey of 1-fluorohexa-2,3-diene?
The InChIKey is TZJBPVBENULMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h3,5H,2,6H2,1H3.
What are the key properties of 1-fluorohexa-2,3-diene?
1-fluorohexa-2,3-diene has a molecular weight of 100.14 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohexa-2,3-diene is sourced from PubChem (CID 56635820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).