2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane

C20H40F2O — CID 88552928

IUPAC2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane
SMILESCC(C)COC(C)C(C)CCC(C)C(C)CC(F)C(C)C(C)F
InChIInChI=1S/C20H40F2O/c1-13(2)12-23-19(8)15(4)10-9-14(3)16(5)11-20(22)17(6)18(7)21/h13-20H,9-12H2,1-8H3
InChIKeyAGCMJSCQBYTARM-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.46
Rot. Bonds12

About 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane

2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane (PubChem CID 88552928) has the molecular formula C20H40F2O and a molecular weight of 334.54 g/mol. Its IUPAC name is 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane.

Molecular Properties

Compound Name2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane
PubChem CID88552928
Molecular FormulaC20H40F2O
Molecular Weight334.54 g/mol
Exact Mass334.30
IUPAC Name2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane
SMILESCC(C)COC(C)C(C)CCC(C)C(C)CC(F)C(C)C(C)F
InChIInChI=1S/C20H40F2O/c1-13(2)12-23-19(8)15(4)10-9-14(3)16(5)11-20(22)17(6)18(7)21/h13-20H,9-12H2,1-8H3
InChIKeyAGCMJSCQBYTARM-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
Difluorothromboxane
CID 129674200
2,4,8-Trimethyl-6-(2,6,8-trimethylnonan-4-yloxy)nonane
CID 20137639
2,6,10,14-Tetramethyl-6,7-epoxy-9-(3-methyl-pentyl)-pentadecane
CID 42608272
1-Nonoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026510
1-Octoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026562
1-Pentoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026563
1-Heptoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026566
1-(4-Butoxy-5,5,5-trifluoropentyl)-4-cyclohexylcyclohexane
CID 19026573
1-Cyclohexyl-4-(5,5,5-trifluoro-4-hexoxypentyl)cyclohexane
CID 19026583
1-Decoxy-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
CID 19026587
1-Heptoxy-4-[4-(2,2,2-trifluoroethyl)cyclohexyl]cyclohexane
CID 19026589

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane?
The IUPAC name of 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane (CID 88552928) is 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane.
What is the SMILES notation for 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane?
The canonical SMILES for 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane is CC(C)COC(C)C(C)CCC(C)C(C)CC(F)C(C)C(C)F.
What is the InChIKey of 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane?
The InChIKey is AGCMJSCQBYTARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40F2O/c1-13(2)12-23-19(8)15(4)10-9-14(3)16(5)11-20(22)17(6)18(7)21/h13-20H,9-12H2,1-8H3.
What are the key properties of 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane?
2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane has a molecular weight of 334.54 g/mol, XLogP of 6.46, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3,6,7,10-tetramethyl-11-(2-methylpropoxy)dodecane is sourced from PubChem (CID 88552928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).