1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane

C11H5F17 — CID 58915583

IUPAC1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane
SMILESFC(F)=C(F)C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F17/c12-4(5(13)14)3(1-6(15,8(17,18)19)9(20,21)22)2-7(16,10(23,24)25)11(26,27)28/h3H,1-2H2
InChIKeyHLVYORMWLJSUGC-UHFFFAOYSA-N
MW460.13 g/mol
LogP7.13
Rot. Bonds5

About 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane

1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane (PubChem CID 58915583) has the molecular formula C11H5F17 and a molecular weight of 460.13 g/mol. Its IUPAC name is 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane
PubChem CID58915583
Molecular FormulaC11H5F17
Molecular Weight460.13 g/mol
Exact Mass460.01
IUPAC Name1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane
SMILESFC(F)=C(F)C(CC(F)(C(F)(F)F)C(F)(F)F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F17/c12-4(5(13)14)3(1-6(15,8(17,18)19)9(20,21)22)2-7(16,10(23,24)25)11(26,27)28/h3H,1-2H2
InChIKeyHLVYORMWLJSUGC-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.13
LogP ≤ 57.13
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-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane (CID 58915583) is 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane is FC(F)=C(F)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-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane?
The InChIKey is HLVYORMWLJSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F17/c12-4(5(13)14)3(1-6(15,8(17,18)19)9(20,21)22)2-7(16,10(23,24)25)11(26,27)28/h3H,1-2H2.
What are the key properties of 1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane?
1,1,1,2,6,7,7,7-octafluoro-4-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane has a molecular weight of 460.13 g/mol, XLogP of 7.13, 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-(1,2,2-trifluoroethenyl)-2,6-bis(trifluoromethyl)heptane is sourced from PubChem (CID 58915583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).