1,1,2,2,3,3,3-heptafluoropropylcyclohexane

C9H11F7 — CID 23233435

IUPAC1,1,2,2,3,3,3-heptafluoropropylcyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C9H11F7/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h6H,1-5H2
InChIKeyQGQZFVQYVYTRKA-UHFFFAOYSA-N
MW252.17 g/mol
LogP4.40
Rot. Bonds2

About 1,1,2,2,3,3,3-heptafluoropropylcyclohexane

1,1,2,2,3,3,3-heptafluoropropylcyclohexane (PubChem CID 23233435) has the molecular formula C9H11F7 and a molecular weight of 252.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,3-heptafluoropropylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,3-heptafluoropropylcyclohexane
PubChem CID23233435
Molecular FormulaC9H11F7
Molecular Weight252.17 g/mol
Exact Mass252.07
IUPAC Name1,1,2,2,3,3,3-heptafluoropropylcyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C9H11F7/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h6H,1-5H2
InChIKeyQGQZFVQYVYTRKA-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 54.40
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 1,1,2,2,3,3,3-heptafluoropropylcyclohexane?
The IUPAC name of 1,1,2,2,3,3,3-heptafluoropropylcyclohexane (CID 23233435) is 1,1,2,2,3,3,3-heptafluoropropylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,3-heptafluoropropylcyclohexane?
The canonical SMILES for 1,1,2,2,3,3,3-heptafluoropropylcyclohexane is FC(F)(F)C(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of 1,1,2,2,3,3,3-heptafluoropropylcyclohexane?
The InChIKey is QGQZFVQYVYTRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7/c10-7(11,6-4-2-1-3-5-6)8(12,13)9(14,15)16/h6H,1-5H2.
What are the key properties of 1,1,2,2,3,3,3-heptafluoropropylcyclohexane?
1,1,2,2,3,3,3-heptafluoropropylcyclohexane has a molecular weight of 252.17 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,3-heptafluoropropylcyclohexane is sourced from PubChem (CID 23233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).