1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane

C28H32F26O — CID 87932263

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane
SMILESCC(C)CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)C
InChIInChI=1S/C28H32F26O/c1-13(2)11-15(5,7-9-17(29,30)19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)55-16(6,12-14(3)4)8-10-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h13-14H,7-12H2,1-6H3
InChIKeyQXSBZTJMASOCOE-UHFFFAOYSA-N
MW878.51 g/mol
LogP13.65
Rot. Bonds20

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane (PubChem CID 87932263) has the molecular formula C28H32F26O and a molecular weight of 878.51 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane
PubChem CID87932263
Molecular FormulaC28H32F26O
Molecular Weight878.51 g/mol
Exact Mass878.20
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane
SMILESCC(C)CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)C
InChIInChI=1S/C28H32F26O/c1-13(2)11-15(5,7-9-17(29,30)19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)55-16(6,12-14(3)4)8-10-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h13-14H,7-12H2,1-6H3
InChIKeyQXSBZTJMASOCOE-UHFFFAOYSA-N
XLogP13.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.51
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane (CID 87932263) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane is CC(C)CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(C)C.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane?
The InChIKey is QXSBZTJMASOCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F26O/c1-13(2)11-15(5,7-9-17(29,30)19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)55-16(6,12-14(3)4)8-10-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h13-14H,7-12H2,1-6H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane has a molecular weight of 878.51 g/mol, XLogP of 13.65, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane is sourced from PubChem (CID 87932263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).