1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane

C9H9F9 — CID 18538156

IUPAC1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC1
InChIInChI=1S/C9H9F9/c10-6(11,5-3-1-2-4-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2
InChIKeyKCQVULZWHSHSFY-UHFFFAOYSA-N
MW288.15 g/mol
LogP4.64
Rot. Bonds3

About 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane

1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane (PubChem CID 18538156) has the molecular formula C9H9F9 and a molecular weight of 288.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane
PubChem CID18538156
Molecular FormulaC9H9F9
Molecular Weight288.15 g/mol
Exact Mass288.06
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC1
InChIInChI=1S/C9H9F9/c10-6(11,5-3-1-2-4-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2
InChIKeyKCQVULZWHSHSFY-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 54.64
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 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane (CID 18538156) is 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC1.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane?
The InChIKey is KCQVULZWHSHSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9/c10-6(11,5-3-1-2-4-5)7(12,13)8(14,15)9(16,17)18/h5H,1-4H2.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane?
1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane has a molecular weight of 288.15 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluorobutylcyclopentane is sourced from PubChem (CID 18538156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).