1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane

C8H7F11 — CID 59211709

IUPAC1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
SMILESCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F11/c1-2-4(9,10)5(11,12)3-6(13,14)7(15,16)8(17,18)19/h2-3H2,1H3
InChIKeyBGBBRMNBOXMTBS-UHFFFAOYSA-N
MW312.12 g/mol
LogP4.89
Rot. Bonds5

About 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane

1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane (PubChem CID 59211709) has the molecular formula C8H7F11 and a molecular weight of 312.12 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
PubChem CID59211709
Molecular FormulaC8H7F11
Molecular Weight312.12 g/mol
Exact Mass312.04
IUPAC Name1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane
SMILESCCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F11/c1-2-4(9,10)5(11,12)3-6(13,14)7(15,16)8(17,18)19/h2-3H2,1H3
InChIKeyBGBBRMNBOXMTBS-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 54.89
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

1,1,2,2,3,3,4,4,6,6,7,7-dodecafluorononane
CID 168937554
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
1,1,2,2,3,3,5,5,6,6-decafluorooctane
CID 59211715
1,1,1,2,2,3,3-heptafluoro-5-iodo-5-methyloctane
CID 153324244
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-hentriacontafluoro-17-methyloctadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-heptacosafluoro-15-methylhexadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-methylundecane;1,1,1,2,2,3,3-heptafluoro-5-methylhexane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-methylheptadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-methyldodecane;1,1,1,2,2,3,3,4,4-nonafluoro-6-methylheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluoro-14-methylpentadecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-methyldecane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluorotridecane;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methylnonane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-methyloctane
CID 157372660
2,2,3,3,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl 2-fluoro-2-methylbutanoate
CID 58881419
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
2,3,3,4,4-pentafluoro-2-methylhexane
CID 170083407
7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane
CID 153324304
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodo-6-methylheptane
CID 153324351
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane (CID 59211709) is 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane is CCC(F)(F)C(F)(F)CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane?
The InChIKey is BGBBRMNBOXMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11/c1-2-4(9,10)5(11,12)3-6(13,14)7(15,16)8(17,18)19/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane?
1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane has a molecular weight of 312.12 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,6,6-undecafluorooctane is sourced from PubChem (CID 59211709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).