6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne

C10H6F10 — CID 15122969

IUPAC6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne
SMILESCC(C)=C(C#CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F10/c1-5(2)6(8(13,14)10(18,19)20)3-4-7(11,12)9(15,16)17/h1-2H3
InChIKeyRKUMFZIYMKVMDS-UHFFFAOYSA-N
MW316.14 g/mol
LogP4.72
Rot. Bonds1

About 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne

6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne (PubChem CID 15122969) has the molecular formula C10H6F10 and a molecular weight of 316.14 g/mol. Its IUPAC name is 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne.

Molecular Properties

Compound Name6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne
PubChem CID15122969
Molecular FormulaC10H6F10
Molecular Weight316.14 g/mol
Exact Mass316.03
IUPAC Name6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne
SMILESCC(C)=C(C#CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F10/c1-5(2)6(8(13,14)10(18,19)20)3-4-7(11,12)9(15,16)17/h1-2H3
InChIKeyRKUMFZIYMKVMDS-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 54.72
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 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne?
The IUPAC name of 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne (CID 15122969) is 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne.
What is the SMILES notation for 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne?
The canonical SMILES for 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne is CC(C)=C(C#CC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne?
The InChIKey is RKUMFZIYMKVMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F10/c1-5(2)6(8(13,14)10(18,19)20)3-4-7(11,12)9(15,16)17/h1-2H3.
What are the key properties of 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne?
6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne has a molecular weight of 316.14 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,7-pentafluoro-2-methyl-3-(1,1,2,2,2-pentafluoroethyl)hept-2-en-4-yne is sourced from PubChem (CID 15122969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).