1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane

C10F22 — CID 12872777

IUPAC1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F22/c11-2(7(21,22)23,5(16,17)10(30,31)32)1(6(18,19)20,3(12,13)8(24,25)26)4(14,15)9(27,28)29
InChIKeyMORRHGXSKNTVCN-UHFFFAOYSA-N
MW538.07 g/mol
LogP7.40
Rot. Bonds4

About 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane

1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane (PubChem CID 12872777) has the molecular formula C10F22 and a molecular weight of 538.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane
PubChem CID12872777
Molecular FormulaC10F22
Molecular Weight538.07 g/mol
Exact Mass537.96
IUPAC Name1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane
SMILESFC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F22/c11-2(7(21,22)23,5(16,17)10(30,31)32)1(6(18,19)20,3(12,13)8(24,25)26)4(14,15)9(27,28)29
InChIKeyMORRHGXSKNTVCN-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.07
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane (CID 12872777) is 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane is FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane?
The InChIKey is MORRHGXSKNTVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22/c11-2(7(21,22)23,5(16,17)10(30,31)32)1(6(18,19)20,3(12,13)8(24,25)26)4(14,15)9(27,28)29.
What are the key properties of 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane?
1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane has a molecular weight of 538.07 g/mol, XLogP of 7.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,5,5,6,6,6-undecafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hexane is sourced from PubChem (CID 12872777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).