1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane

C8H6F12 — CID 163290381

IUPAC1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
SMILESCC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H6F12/c1-4(11,12)2-5(13,14)7(17,18)8(19,20)6(15,16)3(9)10/h3H,2H2,1H3
InChIKeyYHODOAIITKFYFM-UHFFFAOYSA-N
MW330.11 g/mol
LogP4.84
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane

1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane (PubChem CID 163290381) has the molecular formula C8H6F12 and a molecular weight of 330.11 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
PubChem CID163290381
Molecular FormulaC8H6F12
Molecular Weight330.11 g/mol
Exact Mass330.03
IUPAC Name1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
SMILESCC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H6F12/c1-4(11,12)2-5(13,14)7(17,18)8(19,20)6(15,16)3(9)10/h3H,2H2,1H3
InChIKeyYHODOAIITKFYFM-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 54.84
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

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1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
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CID 163324373
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CID 163290372
2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal
CID 19812630
1-(1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,1,2,2,4,4,5,5,6,6,7,7-dodecafluoroheptane
CID 87506465
CID 58700662
CID 58700662
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy(trimethyl)silane
CID 14981318

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane (CID 163290381) is 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane is CC(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane?
The InChIKey is YHODOAIITKFYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12/c1-4(11,12)2-5(13,14)7(17,18)8(19,20)6(15,16)3(9)10/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane?
1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane has a molecular weight of 330.11 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane is sourced from PubChem (CID 163290381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).