1-fluorohexa-1,2-diene

C6H9F — CID 57158585

IUPAC1-fluorohexa-1,2-diene
SMILESCCCC=C=CF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h4,6H,2-3H2,1H3
InChIKeyXPYIWWQABSWHLI-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.42
Rot. Bonds2

About 1-fluorohexa-1,2-diene

1-fluorohexa-1,2-diene (PubChem CID 57158585) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-fluorohexa-1,2-diene.

Molecular Properties

Compound Name1-fluorohexa-1,2-diene
PubChem CID57158585
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name1-fluorohexa-1,2-diene
SMILESCCCC=C=CF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h4,6H,2-3H2,1H3
InChIKeyXPYIWWQABSWHLI-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorohexa-1,2-diene?
The IUPAC name of 1-fluorohexa-1,2-diene (CID 57158585) is 1-fluorohexa-1,2-diene.
What is the SMILES notation for 1-fluorohexa-1,2-diene?
The canonical SMILES for 1-fluorohexa-1,2-diene is CCCC=C=CF.
What is the InChIKey of 1-fluorohexa-1,2-diene?
The InChIKey is XPYIWWQABSWHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h4,6H,2-3H2,1H3.
What are the key properties of 1-fluorohexa-1,2-diene?
1-fluorohexa-1,2-diene has a molecular weight of 100.14 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohexa-1,2-diene is sourced from PubChem (CID 57158585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).