1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane

C11H10F12 — CID 88590950

IUPAC1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane
SMILESC=C(F)C(CC(C)(F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F12/c1-5(12)6(3-7(2,13)9(15,16)17)4-8(14,10(18,19)20)11(21,22)23/h6H,1,3-4H2,2H3
InChIKeyRBMGGZOCJPXXEP-UHFFFAOYSA-N
MW370.18 g/mol
LogP5.99
Rot. Bonds5

About 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane

1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane (PubChem CID 88590950) has the molecular formula C11H10F12 and a molecular weight of 370.18 g/mol. Its IUPAC name is 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane
PubChem CID88590950
Molecular FormulaC11H10F12
Molecular Weight370.18 g/mol
Exact Mass370.06
IUPAC Name1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane
SMILESC=C(F)C(CC(C)(F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F12/c1-5(12)6(3-7(2,13)9(15,16)17)4-8(14,10(18,19)20)11(21,22)23/h6H,1,3-4H2,2H3
InChIKeyRBMGGZOCJPXXEP-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.18
LogP ≤ 55.99
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-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane (CID 88590950) is 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane is C=C(F)C(CC(C)(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-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane?
The InChIKey is RBMGGZOCJPXXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F12/c1-5(12)6(3-7(2,13)9(15,16)17)4-8(14,10(18,19)20)11(21,22)23/h6H,1,3-4H2,2H3.
What are the key properties of 1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane?
1,1,1,2,6,7,7,7-octafluoro-4-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane has a molecular weight of 370.18 g/mol, XLogP of 5.99, 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-(1-fluoroethenyl)-2-methyl-6-(trifluoromethyl)heptane is sourced from PubChem (CID 88590950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).