1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane

C9H11F9 — CID 22011096

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane
SMILESCC(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h5H,3-4H2,1-2H3
InChIKeyRMMGYQOEACDUHV-UHFFFAOYSA-N
MW290.17 g/mol
LogP4.89
Rot. Bonds5

About 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane

1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane (PubChem CID 22011096) has the molecular formula C9H11F9 and a molecular weight of 290.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane
PubChem CID22011096
Molecular FormulaC9H11F9
Molecular Weight290.17 g/mol
Exact Mass290.07
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane
SMILESCC(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h5H,3-4H2,1-2H3
InChIKeyRMMGYQOEACDUHV-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 54.89
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 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane (CID 22011096) is 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane is CC(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane?
The InChIKey is RMMGYQOEACDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9/c1-5(2)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane?
1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane has a molecular weight of 290.17 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-7-methyloctane is sourced from PubChem (CID 22011096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).