1,1,2,4,4-pentafluorocyclohexane

C6H7F5 — CID 58114516

IUPAC1,1,2,4,4-pentafluorocyclohexane
SMILESFC1CC(F)(F)CCC1(F)F
InChIInChI=1S/C6H7F5/c7-4-3-5(8,9)1-2-6(4,10)11/h4H,1-3H2
InChIKeyOWMLIINVUHSMLP-UHFFFAOYSA-N
MW174.11 g/mol
LogP2.78
Rot. Bonds

About 1,1,2,4,4-pentafluorocyclohexane

1,1,2,4,4-pentafluorocyclohexane (PubChem CID 58114516) has the molecular formula C6H7F5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 1,1,2,4,4-pentafluorocyclohexane.

Molecular Properties

Compound Name1,1,2,4,4-pentafluorocyclohexane
PubChem CID58114516
Molecular FormulaC6H7F5
Molecular Weight174.11 g/mol
Exact Mass174.05
IUPAC Name1,1,2,4,4-pentafluorocyclohexane
SMILESFC1CC(F)(F)CCC1(F)F
InChIInChI=1S/C6H7F5/c7-4-3-5(8,9)1-2-6(4,10)11/h4H,1-3H2
InChIKeyOWMLIINVUHSMLP-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4-pentafluorocyclohexane?
The IUPAC name of 1,1,2,4,4-pentafluorocyclohexane (CID 58114516) is 1,1,2,4,4-pentafluorocyclohexane.
What is the SMILES notation for 1,1,2,4,4-pentafluorocyclohexane?
The canonical SMILES for 1,1,2,4,4-pentafluorocyclohexane is FC1CC(F)(F)CCC1(F)F.
What is the InChIKey of 1,1,2,4,4-pentafluorocyclohexane?
The InChIKey is OWMLIINVUHSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5/c7-4-3-5(8,9)1-2-6(4,10)11/h4H,1-3H2.
What are the key properties of 1,1,2,4,4-pentafluorocyclohexane?
1,1,2,4,4-pentafluorocyclohexane has a molecular weight of 174.11 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4-pentafluorocyclohexane is sourced from PubChem (CID 58114516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).