7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne

C11H9F9 — CID 139264091

IUPAC7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne
SMILESCC(C)=CCC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F9/c1-7(2)5-3-4-6-8(12,13)9(14,15)10(16,17)11(18,19)20/h5H,3H2,1-2H3
InChIKeyPPMKBQCYNQYOID-UHFFFAOYSA-N
MW312.18 g/mol
LogP4.81
Rot. Bonds3

About 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne

7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne (PubChem CID 139264091) has the molecular formula C11H9F9 and a molecular weight of 312.18 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne
PubChem CID139264091
Molecular FormulaC11H9F9
Molecular Weight312.18 g/mol
Exact Mass312.06
IUPAC Name7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne
SMILESCC(C)=CCC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F9/c1-7(2)5-3-4-6-8(12,13)9(14,15)10(16,17)11(18,19)20/h5H,3H2,1-2H3
InChIKeyPPMKBQCYNQYOID-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 54.81
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne?
The IUPAC name of 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne (CID 139264091) is 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne.
What is the SMILES notation for 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne?
The canonical SMILES for 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne is CC(C)=CCC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne?
The InChIKey is PPMKBQCYNQYOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F9/c1-7(2)5-3-4-6-8(12,13)9(14,15)10(16,17)11(18,19)20/h5H,3H2,1-2H3.
What are the key properties of 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne?
7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne has a molecular weight of 312.18 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,10-nonafluoro-2-methyldec-2-en-5-yne is sourced from PubChem (CID 139264091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).