1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane

C6HF13 — CID 550348

IUPAC1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane
SMILESFC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF13/c7-1(3(10,11)5(14,15)16)2(8,9)4(12,13)6(17,18)19/h1H
InChIKeyBSJCNKQSUUXNNN-UHFFFAOYSA-N
MW320.05 g/mol
LogP4.36
Rot. Bonds3

About 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane

1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane (PubChem CID 550348) has the molecular formula C6HF13 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane
PubChem CID550348
Molecular FormulaC6HF13
Molecular Weight320.05 g/mol
Exact Mass319.99
IUPAC Name1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane
SMILESFC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF13/c7-1(3(10,11)5(14,15)16)2(8,9)4(12,13)6(17,18)19/h1H
InChIKeyBSJCNKQSUUXNNN-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.05
LogP ≤ 54.36
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 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane?
The IUPAC name of 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane (CID 550348) is 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane is FC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane?
The InChIKey is BSJCNKQSUUXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF13/c7-1(3(10,11)5(14,15)16)2(8,9)4(12,13)6(17,18)19/h1H.
What are the key properties of 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane?
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane has a molecular weight of 320.05 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane is sourced from PubChem (CID 550348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).