1,3,3,5,5-pentafluorocyclohexene

C6H5F5 — CID 146674898

IUPAC1,3,3,5,5-pentafluorocyclohexene
SMILESFC1=CC(F)(F)CC(F)(F)C1
InChIInChI=1S/C6H5F5/c7-4-1-5(8,9)3-6(10,11)2-4/h1H,2-3H2
InChIKeySOHPECFUFJZVMK-UHFFFAOYSA-N
MW172.10 g/mol
LogP2.90
Rot. Bonds

About 1,3,3,5,5-pentafluorocyclohexene

1,3,3,5,5-pentafluorocyclohexene (PubChem CID 146674898) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 1,3,3,5,5-pentafluorocyclohexene.

Molecular Properties

Compound Name1,3,3,5,5-pentafluorocyclohexene
PubChem CID146674898
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name1,3,3,5,5-pentafluorocyclohexene
SMILESFC1=CC(F)(F)CC(F)(F)C1
InChIInChI=1S/C6H5F5/c7-4-1-5(8,9)3-6(10,11)2-4/h1H,2-3H2
InChIKeySOHPECFUFJZVMK-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,5-pentafluorocyclohexene?
The IUPAC name of 1,3,3,5,5-pentafluorocyclohexene (CID 146674898) is 1,3,3,5,5-pentafluorocyclohexene.
What is the SMILES notation for 1,3,3,5,5-pentafluorocyclohexene?
The canonical SMILES for 1,3,3,5,5-pentafluorocyclohexene is FC1=CC(F)(F)CC(F)(F)C1.
What is the InChIKey of 1,3,3,5,5-pentafluorocyclohexene?
The InChIKey is SOHPECFUFJZVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5/c7-4-1-5(8,9)3-6(10,11)2-4/h1H,2-3H2.
What are the key properties of 1,3,3,5,5-pentafluorocyclohexene?
1,3,3,5,5-pentafluorocyclohexene has a molecular weight of 172.10 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5,5-pentafluorocyclohexene is sourced from PubChem (CID 146674898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).