2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane

C11H22F2O — CID 89254943

IUPAC2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane
SMILESCC(C)OCC(F)(F)CCC(C)(C)C
InChIInChI=1S/C11H22F2O/c1-9(2)14-8-11(12,13)7-6-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyNGDMYRUQQXEPOB-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.87
Rot. Bonds5

About 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane

2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane (PubChem CID 89254943) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane.

Molecular Properties

Compound Name2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane
PubChem CID89254943
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane
SMILESCC(C)OCC(F)(F)CCC(C)(C)C
InChIInChI=1S/C11H22F2O/c1-9(2)14-8-11(12,13)7-6-10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyNGDMYRUQQXEPOB-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane?
The IUPAC name of 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane (CID 89254943) is 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane.
What is the SMILES notation for 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane?
The canonical SMILES for 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane is CC(C)OCC(F)(F)CCC(C)(C)C.
What is the InChIKey of 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane?
The InChIKey is NGDMYRUQQXEPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-9(2)14-8-11(12,13)7-6-10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane?
2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane has a molecular weight of 208.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,5-dimethyl-1-propan-2-yloxyhexane is sourced from PubChem (CID 89254943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).