3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne

C9HF15 — CID 12769964

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne
SMILESC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9HF15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H
InChIKeyYGXSKIBLCARWQF-UHFFFAOYSA-N
MW394.08 g/mol
LogP4.99
Rot. Bonds5

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne (PubChem CID 12769964) has the molecular formula C9HF15 and a molecular weight of 394.08 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne
PubChem CID12769964
Molecular FormulaC9HF15
Molecular Weight394.08 g/mol
Exact Mass393.98
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne
SMILESC#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9HF15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H
InChIKeyYGXSKIBLCARWQF-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.08
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne (CID 12769964) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne is C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne?
The InChIKey is YGXSKIBLCARWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HF15/c1-2-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne has a molecular weight of 394.08 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-yne is sourced from PubChem (CID 12769964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).