1,2,3,4,6-pentafluorocyclohexa-1,4-diene

C6H3F5 — CID 54549474

IUPAC1,2,3,4,6-pentafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)C(F)=C(F)C1F
InChIInChI=1S/C6H3F5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,5H
InChIKeyBVKZQJNSSHCMBT-UHFFFAOYSA-N
MW170.08 g/mol
LogP2.68
Rot. Bonds

About 1,2,3,4,6-pentafluorocyclohexa-1,4-diene

1,2,3,4,6-pentafluorocyclohexa-1,4-diene (PubChem CID 54549474) has the molecular formula C6H3F5 and a molecular weight of 170.08 g/mol. Its IUPAC name is 1,2,3,4,6-pentafluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,3,4,6-pentafluorocyclohexa-1,4-diene
PubChem CID54549474
Molecular FormulaC6H3F5
Molecular Weight170.08 g/mol
Exact Mass170.02
IUPAC Name1,2,3,4,6-pentafluorocyclohexa-1,4-diene
SMILESFC1=CC(F)C(F)=C(F)C1F
InChIInChI=1S/C6H3F5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,5H
InChIKeyBVKZQJNSSHCMBT-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6-pentafluorocyclohexa-1,4-diene?
The IUPAC name of 1,2,3,4,6-pentafluorocyclohexa-1,4-diene (CID 54549474) is 1,2,3,4,6-pentafluorocyclohexa-1,4-diene.
What is the SMILES notation for 1,2,3,4,6-pentafluorocyclohexa-1,4-diene?
The canonical SMILES for 1,2,3,4,6-pentafluorocyclohexa-1,4-diene is FC1=CC(F)C(F)=C(F)C1F.
What is the InChIKey of 1,2,3,4,6-pentafluorocyclohexa-1,4-diene?
The InChIKey is BVKZQJNSSHCMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,5H.
What are the key properties of 1,2,3,4,6-pentafluorocyclohexa-1,4-diene?
1,2,3,4,6-pentafluorocyclohexa-1,4-diene has a molecular weight of 170.08 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6-pentafluorocyclohexa-1,4-diene is sourced from PubChem (CID 54549474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).