1-cyclohexyl-2,3,4,5,6-pentafluorobenzene

C12H11F5 — CID 15048646

IUPAC1-cyclohexyl-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C2CCCCC2)c(F)c1F
InChIInChI=1S/C12H11F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h6H,1-5H2
InChIKeyXFXKZQNELQEVIA-UHFFFAOYSA-N
MW250.21 g/mol
LogP4.43
Rot. Bonds1

About 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene

1-cyclohexyl-2,3,4,5,6-pentafluorobenzene (PubChem CID 15048646) has the molecular formula C12H11F5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-cyclohexyl-2,3,4,5,6-pentafluorobenzene
PubChem CID15048646
Molecular FormulaC12H11F5
Molecular Weight250.21 g/mol
Exact Mass250.08
IUPAC Name1-cyclohexyl-2,3,4,5,6-pentafluorobenzene
SMILESFc1c(F)c(F)c(C2CCCCC2)c(F)c1F
InChIInChI=1S/C12H11F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h6H,1-5H2
InChIKeyXFXKZQNELQEVIA-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene (CID 15048646) is 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene is Fc1c(F)c(F)c(C2CCCCC2)c(F)c1F.
What is the InChIKey of 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene?
The InChIKey is XFXKZQNELQEVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5/c13-8-7(6-4-2-1-3-5-6)9(14)11(16)12(17)10(8)15/h6H,1-5H2.
What are the key properties of 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene?
1-cyclohexyl-2,3,4,5,6-pentafluorobenzene has a molecular weight of 250.21 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 15048646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).