1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane

C10H10F10 — CID 87190374

IUPAC1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C1CCCC(C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H10F10/c11-7(12,9(15,16)17)5-2-1-3-6(4-5)8(13,14)10(18,19)20/h5-6H,1-4H2
InChIKeyJKSIJLIVHIGTNW-UHFFFAOYSA-N
MW320.17 g/mol
LogP5.19
Rot. Bonds2

About 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane

1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane (PubChem CID 87190374) has the molecular formula C10H10F10 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane.

Molecular Properties

Compound Name1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
PubChem CID87190374
Molecular FormulaC10H10F10
Molecular Weight320.17 g/mol
Exact Mass320.06
IUPAC Name1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C1CCCC(C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C10H10F10/c11-7(12,9(15,16)17)5-2-1-3-6(4-5)8(13,14)10(18,19)20/h5-6H,1-4H2
InChIKeyJKSIJLIVHIGTNW-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.17
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The IUPAC name of 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane (CID 87190374) is 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane.
What is the SMILES notation for 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The canonical SMILES for 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane is FC(F)(F)C(F)(F)C1CCCC(C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The InChIKey is JKSIJLIVHIGTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10/c11-7(12,9(15,16)17)5-2-1-3-6(4-5)8(13,14)10(18,19)20/h5-6H,1-4H2.
What are the key properties of 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane has a molecular weight of 320.17 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane is sourced from PubChem (CID 87190374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).