1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane

C12H15F11 — CID 177342292

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
SMILESCCCCCC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F11/c1-3-4-5-6-7(2)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h7H,3-6H2,1-2H3
InChIKeyUHNFXZVVUZLZFB-UHFFFAOYSA-N
MW368.23 g/mol
LogP6.31
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane (PubChem CID 177342292) has the molecular formula C12H15F11 and a molecular weight of 368.23 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
PubChem CID177342292
Molecular FormulaC12H15F11
Molecular Weight368.23 g/mol
Exact Mass368.10
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
SMILESCCCCCC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F11/c1-3-4-5-6-7(2)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h7H,3-6H2,1-2H3
InChIKeyUHNFXZVVUZLZFB-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.23
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
CID 149252552
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-7-methylpentadecane
CID 131700766
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
trichloro(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-pentacosafluorononacosan-13-yl)silane
CID 175360578
7-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctadecane
CID 151414921
6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
CID 153324190
10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)octadecanoic acid
CID 15142415
3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-methylidenetetradecanoic acid
CID 87338330
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-icosafluorotridecane
CID 142738894
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecoxy)-9-methyldecane
CID 175131695
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentadecane
CID 13299952

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane (CID 177342292) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane is CCCCCC(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane?
The InChIKey is UHNFXZVVUZLZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F11/c1-3-4-5-6-7(2)8(13,14)9(15,16)10(17,18)11(19,20)12(21,22)23/h7H,3-6H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane has a molecular weight of 368.23 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane is sourced from PubChem (CID 177342292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).