1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane

C12H8F10 — CID 15122975

IUPAC1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane
SMILESFC(F)(F)C(C#CC(F)(F)C(F)(F)C(F)(F)F)=C1CCCC1
InChIInChI=1S/C12H8F10/c13-9(14,11(18,19)12(20,21)22)6-5-8(10(15,16)17)7-3-1-2-4-7/h1-4H2
InChIKeyMMHLDEGBUZDZPA-UHFFFAOYSA-N
MW342.18 g/mol
LogP5.26
Rot. Bonds1

About 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane

1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane (PubChem CID 15122975) has the molecular formula C12H8F10 and a molecular weight of 342.18 g/mol. Its IUPAC name is 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane.

Molecular Properties

Compound Name1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane
PubChem CID15122975
Molecular FormulaC12H8F10
Molecular Weight342.18 g/mol
Exact Mass342.05
IUPAC Name1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane
SMILESFC(F)(F)C(C#CC(F)(F)C(F)(F)C(F)(F)F)=C1CCCC1
InChIInChI=1S/C12H8F10/c13-9(14,11(18,19)12(20,21)22)6-5-8(10(15,16)17)7-3-1-2-4-7/h1-4H2
InChIKeyMMHLDEGBUZDZPA-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.18
LogP ≤ 55.26
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 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane?
The IUPAC name of 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane (CID 15122975) is 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane.
What is the SMILES notation for 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane?
The canonical SMILES for 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane is FC(F)(F)C(C#CC(F)(F)C(F)(F)C(F)(F)F)=C1CCCC1.
What is the InChIKey of 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane?
The InChIKey is MMHLDEGBUZDZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F10/c13-9(14,11(18,19)12(20,21)22)6-5-8(10(15,16)17)7-3-1-2-4-7/h1-4H2.
What are the key properties of 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane?
1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane has a molecular weight of 342.18 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,6,6,7,7,7-decafluorohept-3-yn-2-ylidenecyclopentane is sourced from PubChem (CID 15122975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).