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

C7H2F14 — CID 23236420

IUPAC1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F14/c8-2(9)4(12,13)7(20,21)3(10,11)1(5(14,15)16)6(17,18)19/h1-2H
InChIKeyUDJOLVUTWZEDED-UHFFFAOYSA-N
MW352.07 g/mol
LogP4.90
Rot. Bonds4

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

1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane (PubChem CID 23236420) has the molecular formula C7H2F14 and a molecular weight of 352.07 g/mol. Its IUPAC name is 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane
PubChem CID23236420
Molecular FormulaC7H2F14
Molecular Weight352.07 g/mol
Exact Mass351.99
IUPAC Name1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H2F14/c8-2(9)4(12,13)7(20,21)3(10,11)1(5(14,15)16)6(17,18)19/h1-2H
InChIKeyUDJOLVUTWZEDED-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 54.90
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 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane (CID 23236420) is 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane?
The InChIKey is UDJOLVUTWZEDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F14/c8-2(9)4(12,13)7(20,21)3(10,11)1(5(14,15)16)6(17,18)19/h1-2H.
What are the key properties of 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane?
1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane has a molecular weight of 352.07 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,4,4,5,5,6,6-undecafluoro-2-(trifluoromethyl)hexane is sourced from PubChem (CID 23236420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).