6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane

C15H30F2O — CID 58275619

IUPAC6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane
SMILESCC(C)OCC(C)(C)CCCC(F)(F)C(C)(C)C
InChIInChI=1S/C15H30F2O/c1-12(2)18-11-14(6,7)9-8-10-15(16,17)13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyWBJFYPGMVGEHPO-UHFFFAOYSA-N
MW264.40 g/mol
LogP5.29
Rot. Bonds7

About 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane

6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane (PubChem CID 58275619) has the molecular formula C15H30F2O and a molecular weight of 264.40 g/mol. Its IUPAC name is 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane.

Molecular Properties

Compound Name6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane
PubChem CID58275619
Molecular FormulaC15H30F2O
Molecular Weight264.40 g/mol
Exact Mass264.23
IUPAC Name6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane
SMILESCC(C)OCC(C)(C)CCCC(F)(F)C(C)(C)C
InChIInChI=1S/C15H30F2O/c1-12(2)18-11-14(6,7)9-8-10-15(16,17)13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyWBJFYPGMVGEHPO-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane?
The IUPAC name of 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane (CID 58275619) is 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane.
What is the SMILES notation for 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane?
The canonical SMILES for 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane is CC(C)OCC(C)(C)CCCC(F)(F)C(C)(C)C.
What is the InChIKey of 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane?
The InChIKey is WBJFYPGMVGEHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2O/c1-12(2)18-11-14(6,7)9-8-10-15(16,17)13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane?
6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane has a molecular weight of 264.40 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,2,7,7-tetramethyl-1-propan-2-yloxyoctane is sourced from PubChem (CID 58275619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).