1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane

C9H10F6 — CID 148547371

IUPAC1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane
SMILESCC(C)=C1CCC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F6/c1-5(2)6-3-4-7(10,11)9(14,15)8(6,12)13/h3-4H2,1-2H3
InChIKeyRCEMOFXAKGUVJN-UHFFFAOYSA-N
MW232.17 g/mol
LogP4.02
Rot. Bonds

About 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane

1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane (PubChem CID 148547371) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane
PubChem CID148547371
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane
SMILESCC(C)=C1CCC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F6/c1-5(2)6-3-4-7(10,11)9(14,15)8(6,12)13/h3-4H2,1-2H3
InChIKeyRCEMOFXAKGUVJN-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane (CID 148547371) is 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane is CC(C)=C1CCC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane?
The InChIKey is RCEMOFXAKGUVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c1-5(2)6-3-4-7(10,11)9(14,15)8(6,12)13/h3-4H2,1-2H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane?
1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane has a molecular weight of 232.17 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-4-propan-2-ylidenecyclohexane is sourced from PubChem (CID 148547371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).