1-fluorocyclohexa-1,3-diene

C6H7F — CID 21439206

IUPAC1-fluorocyclohexa-1,3-diene
SMILESFC1=CC=CCC1
InChIInChI=1S/C6H7F/c7-6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyUIDPAOIDSQJZMC-UHFFFAOYSA-N
MW98.12 g/mol
LogP2.19
Rot. Bonds

About 1-fluorocyclohexa-1,3-diene

1-fluorocyclohexa-1,3-diene (PubChem CID 21439206) has the molecular formula C6H7F and a molecular weight of 98.12 g/mol. Its IUPAC name is 1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluorocyclohexa-1,3-diene
PubChem CID21439206
Molecular FormulaC6H7F
Molecular Weight98.12 g/mol
Exact Mass98.05
IUPAC Name1-fluorocyclohexa-1,3-diene
SMILESFC1=CC=CCC1
InChIInChI=1S/C6H7F/c7-6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyUIDPAOIDSQJZMC-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-fluorocyclohexa-1,3-diene (CID 21439206) is 1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-fluorocyclohexa-1,3-diene is FC1=CC=CCC1.
What is the InChIKey of 1-fluorocyclohexa-1,3-diene?
The InChIKey is UIDPAOIDSQJZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F/c7-6-4-2-1-3-5-6/h1-2,4H,3,5H2.
What are the key properties of 1-fluorocyclohexa-1,3-diene?
1-fluorocyclohexa-1,3-diene has a molecular weight of 98.12 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 21439206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).