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

C17H30F6O2 — CID 90239072

IUPAC6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
SMILESCC(C)CCCC(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C17H30F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h13-14H,5-12H2,1-4H3
InChIKeyLVIPBQZRBBDBOK-UHFFFAOYSA-N
MW380.41 g/mol
LogP6.49
Rot. Bonds12

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

6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane (PubChem CID 90239072) has the molecular formula C17H30F6O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane.

Molecular Properties

Compound Name6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
PubChem CID90239072
Molecular FormulaC17H30F6O2
Molecular Weight380.41 g/mol
Exact Mass380.21
IUPAC Name6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane
SMILESCC(C)CCCC(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C17H30F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h13-14H,5-12H2,1-4H3
InChIKeyLVIPBQZRBBDBOK-UHFFFAOYSA-N
XLogP6.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 56.49
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 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The IUPAC name of 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane (CID 90239072) is 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane.
What is the SMILES notation for 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The canonical SMILES for 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane is CC(C)CCCC(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
The InChIKey is LVIPBQZRBBDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h13-14H,5-12H2,1-4H3.
What are the key properties of 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane?
6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane has a molecular weight of 380.41 g/mol, XLogP of 6.49, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2,2-bis(2,2,2-trifluoroethoxy)undecane is sourced from PubChem (CID 90239072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).