5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane

C14H28F2O — CID 58275606

IUPAC5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane
SMILESCC(C)OCC(C)(C)CCC(F)(F)C(C)(C)C
InChIInChI=1S/C14H28F2O/c1-11(2)17-10-13(6,7)8-9-14(15,16)12(3,4)5/h11H,8-10H2,1-7H3
InChIKeyKAZNXKWGVBDBKL-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.90
Rot. Bonds6

About 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane

5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane (PubChem CID 58275606) has the molecular formula C14H28F2O and a molecular weight of 250.37 g/mol. Its IUPAC name is 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane.

Molecular Properties

Compound Name5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane
PubChem CID58275606
Molecular FormulaC14H28F2O
Molecular Weight250.37 g/mol
Exact Mass250.21
IUPAC Name5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane
SMILESCC(C)OCC(C)(C)CCC(F)(F)C(C)(C)C
InChIInChI=1S/C14H28F2O/c1-11(2)17-10-13(6,7)8-9-14(15,16)12(3,4)5/h11H,8-10H2,1-7H3
InChIKeyKAZNXKWGVBDBKL-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane?
The IUPAC name of 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane (CID 58275606) is 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane.
What is the SMILES notation for 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane?
The canonical SMILES for 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane is CC(C)OCC(C)(C)CCC(F)(F)C(C)(C)C.
What is the InChIKey of 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane?
The InChIKey is KAZNXKWGVBDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2O/c1-11(2)17-10-13(6,7)8-9-14(15,16)12(3,4)5/h11H,8-10H2,1-7H3.
What are the key properties of 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane?
5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane has a molecular weight of 250.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,2,6,6-tetramethyl-1-propan-2-yloxyheptane is sourced from PubChem (CID 58275606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).