6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane

C18H32F6O2 — CID 144649241

IUPAC6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
SMILESCC(C)CCCC(C)(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C18H32F6O2/c1-14(2)8-6-9-15(3,4)10-7-11-16(5,25-12-17(19,20)21)26-13-18(22,23)24/h14H,6-13H2,1-5H3
InChIKeyLWBXODJCCKCVIH-UHFFFAOYSA-N
MW394.44 g/mol
LogP6.88
Rot. Bonds12

About 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane

6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane (PubChem CID 144649241) has the molecular formula C18H32F6O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane.

Molecular Properties

Compound Name6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
PubChem CID144649241
Molecular FormulaC18H32F6O2
Molecular Weight394.44 g/mol
Exact Mass394.23
IUPAC Name6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
SMILESCC(C)CCCC(C)(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C18H32F6O2/c1-14(2)8-6-9-15(3,4)10-7-11-16(5,25-12-17(19,20)21)26-13-18(22,23)24/h14H,6-13H2,1-5H3
InChIKeyLWBXODJCCKCVIH-UHFFFAOYSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The IUPAC name of 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane (CID 144649241) is 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane.
What is the SMILES notation for 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The canonical SMILES for 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane is CC(C)CCCC(C)(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The InChIKey is LWBXODJCCKCVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F6O2/c1-14(2)8-6-9-15(3,4)10-7-11-16(5,25-12-17(19,20)21)26-13-18(22,23)24/h14H,6-13H2,1-5H3.
What are the key properties of 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane has a molecular weight of 394.44 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,10-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane is sourced from PubChem (CID 144649241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).