1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane

C11H7F15 — CID 58915558

IUPAC1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane
SMILESF/C=C/C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F15/c12-2-1-5(3-6(13,8(15,16)17)9(18,19)20)4-7(14,10(21,22)23)11(24,25)26/h1-2,5H,3-4H2/b2-1+
InChIKeyBATXBKHJBOKIIV-OWOJBTEDSA-N
MW424.15 g/mol
LogP6.53
Rot. Bonds5

About 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane

1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane (PubChem CID 58915558) has the molecular formula C11H7F15 and a molecular weight of 424.15 g/mol. Its IUPAC name is 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane
PubChem CID58915558
Molecular FormulaC11H7F15
Molecular Weight424.15 g/mol
Exact Mass424.03
IUPAC Name1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane
SMILESF/C=C/C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F15/c12-2-1-5(3-6(13,8(15,16)17)9(18,19)20)4-7(14,10(21,22)23)11(24,25)26/h1-2,5H,3-4H2/b2-1+
InChIKeyBATXBKHJBOKIIV-OWOJBTEDSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.15
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane (CID 58915558) is 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane is F/C=C/C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane?
The InChIKey is BATXBKHJBOKIIV-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H7F15/c12-2-1-5(3-6(13,8(15,16)17)9(18,19)20)4-7(14,10(21,22)23)11(24,25)26/h1-2,5H,3-4H2/b2-1+.
What are the key properties of 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane?
1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane has a molecular weight of 424.15 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,6,7,7,7-octafluoro-4-[(E)-2-fluoroethenyl]-2,6-bis(trifluoromethyl)heptane is sourced from PubChem (CID 58915558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).