1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane

C11H5F17 — CID 138465011

IUPAC1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane
SMILESFC(F)(F)C=C(C(F)(CC(F)(F)F)C(F)(F)F)C(F)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F17/c12-5(10(23,24)25,2-8(17,18)19)4(1-7(14,15)16)6(13,11(26,27)28)3-9(20,21)22/h1H,2-3H2
InChIKeySQKABPIGTMDKTP-UHFFFAOYSA-N
MW460.13 g/mol
LogP6.92
Rot. Bonds4

About 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane

1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane (PubChem CID 138465011) has the molecular formula C11H5F17 and a molecular weight of 460.13 g/mol. Its IUPAC name is 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane
PubChem CID138465011
Molecular FormulaC11H5F17
Molecular Weight460.13 g/mol
Exact Mass460.01
IUPAC Name1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane
SMILESFC(F)(F)C=C(C(F)(CC(F)(F)F)C(F)(F)F)C(F)(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H5F17/c12-5(10(23,24)25,2-8(17,18)19)4(1-7(14,15)16)6(13,11(26,27)28)3-9(20,21)22/h1H,2-3H2
InChIKeySQKABPIGTMDKTP-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.13
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane (CID 138465011) is 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane is FC(F)(F)C=C(C(F)(CC(F)(F)F)C(F)(F)F)C(F)(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane?
The InChIKey is SQKABPIGTMDKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F17/c12-5(10(23,24)25,2-8(17,18)19)4(1-7(14,15)16)6(13,11(26,27)28)3-9(20,21)22/h1H,2-3H2.
What are the key properties of 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane?
1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane has a molecular weight of 460.13 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,5,7,7,7-octafluoro-4-(2,2,2-trifluoroethylidene)-3,5-bis(trifluoromethyl)heptane is sourced from PubChem (CID 138465011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).