1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane

C8HF13 — CID 12593514

IUPAC1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane
SMILESFC1C(F)(F)C2(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C8HF13/c9-1-2(10)5(14,15)7(18,19)4(13,3(1,11)12)8(20,21)6(2,16)17/h1H
InChIKeyDCCSXNCWOVBQQQ-UHFFFAOYSA-N
MW344.07 g/mol
LogP3.94
Rot. Bonds

About 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane

1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane (PubChem CID 12593514) has the molecular formula C8HF13 and a molecular weight of 344.07 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane
PubChem CID12593514
Molecular FormulaC8HF13
Molecular Weight344.07 g/mol
Exact Mass343.99
IUPAC Name1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane
SMILESFC1C(F)(F)C2(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C2(F)F
InChIInChI=1S/C8HF13/c9-1-2(10)5(14,15)7(18,19)4(13,3(1,11)12)8(20,21)6(2,16)17/h1H
InChIKeyDCCSXNCWOVBQQQ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
CID 89354579
1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
CID 160699918
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
2,2,3,3,4,5,5,6,6-nonafluorooxane
CID 73057419
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762
1,1,2,2,3,4,5,6-octafluorocyclohexane
CID 22495201

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane?
The IUPAC name of 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane (CID 12593514) is 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane.
What is the SMILES notation for 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane?
The canonical SMILES for 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane is FC1C(F)(F)C2(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C2(F)F.
What is the InChIKey of 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane?
The InChIKey is DCCSXNCWOVBQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF13/c9-1-2(10)5(14,15)7(18,19)4(13,3(1,11)12)8(20,21)6(2,16)17/h1H.
What are the key properties of 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane?
1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane has a molecular weight of 344.07 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane is sourced from PubChem (CID 12593514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).