1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane

C16H30F2 — CID 68649915

IUPAC1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
SMILESCC1(C)C(C)(C)C(C)(C)C(F)(F)C(C)(C)C1(C)C
InChIInChI=1S/C16H30F2/c1-11(2)12(3,4)14(7,8)16(17,18)15(9,10)13(11,5)6/h1-10H3
InChIKeyROSXIHYTGAXREZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP5.77
Rot. Bonds

About 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane

1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane (PubChem CID 68649915) has the molecular formula C16H30F2 and a molecular weight of 260.41 g/mol. Its IUPAC name is 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
PubChem CID68649915
Molecular FormulaC16H30F2
Molecular Weight260.41 g/mol
Exact Mass260.23
IUPAC Name1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
SMILESCC1(C)C(C)(C)C(C)(C)C(F)(F)C(C)(C)C1(C)C
InChIInChI=1S/C16H30F2/c1-11(2)12(3,4)14(7,8)16(17,18)15(9,10)13(11,5)6/h1-10H3
InChIKeyROSXIHYTGAXREZ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.41
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
The IUPAC name of 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane (CID 68649915) is 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane.
What is the SMILES notation for 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
The canonical SMILES for 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane is CC1(C)C(C)(C)C(C)(C)C(F)(F)C(C)(C)C1(C)C.
What is the InChIKey of 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
The InChIKey is ROSXIHYTGAXREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2/c1-11(2)12(3,4)14(7,8)16(17,18)15(9,10)13(11,5)6/h1-10H3.
What are the key properties of 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane?
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane has a molecular weight of 260.41 g/mol, XLogP of 5.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane is sourced from PubChem (CID 68649915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).