1,1-difluoro-2,4,6-trimethylcyclohexane

C9H16F2 — CID 161062505

IUPAC1,1-difluoro-2,4,6-trimethylcyclohexane
SMILESCC1CC(C)C(F)(F)C(C)C1
InChIInChI=1S/C9H16F2/c1-6-4-7(2)9(10,11)8(3)5-6/h6-8H,4-5H2,1-3H3
InChIKeyZVTGEZKLVPEFEO-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.32
Rot. Bonds

About 1,1-difluoro-2,4,6-trimethylcyclohexane

1,1-difluoro-2,4,6-trimethylcyclohexane (PubChem CID 161062505) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,1-difluoro-2,4,6-trimethylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2,4,6-trimethylcyclohexane
PubChem CID161062505
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,1-difluoro-2,4,6-trimethylcyclohexane
SMILESCC1CC(C)C(F)(F)C(C)C1
InChIInChI=1S/C9H16F2/c1-6-4-7(2)9(10,11)8(3)5-6/h6-8H,4-5H2,1-3H3
InChIKeyZVTGEZKLVPEFEO-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,4,6-trimethylcyclohexane?
The IUPAC name of 1,1-difluoro-2,4,6-trimethylcyclohexane (CID 161062505) is 1,1-difluoro-2,4,6-trimethylcyclohexane.
What is the SMILES notation for 1,1-difluoro-2,4,6-trimethylcyclohexane?
The canonical SMILES for 1,1-difluoro-2,4,6-trimethylcyclohexane is CC1CC(C)C(F)(F)C(C)C1.
What is the InChIKey of 1,1-difluoro-2,4,6-trimethylcyclohexane?
The InChIKey is ZVTGEZKLVPEFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-6-4-7(2)9(10,11)8(3)5-6/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-2,4,6-trimethylcyclohexane?
1,1-difluoro-2,4,6-trimethylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,4,6-trimethylcyclohexane is sourced from PubChem (CID 161062505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).