2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane

C9H10F8O2 — CID 89409188

IUPAC2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane
SMILESCC1CC(F)C(OC(F)(F)F)(OC(F)(F)F)C(F)C1
InChIInChI=1S/C9H10F8O2/c1-4-2-5(10)7(6(11)3-4,18-8(12,13)14)19-9(15,16)17/h4-6H,2-3H2,1H3
InChIKeyFRIKETVFXFKSBD-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.86
Rot. Bonds2

About 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane

2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane (PubChem CID 89409188) has the molecular formula C9H10F8O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane
PubChem CID89409188
Molecular FormulaC9H10F8O2
Molecular Weight302.16 g/mol
Exact Mass302.06
IUPAC Name2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane
SMILESCC1CC(F)C(OC(F)(F)F)(OC(F)(F)F)C(F)C1
InChIInChI=1S/C9H10F8O2/c1-4-2-5(10)7(6(11)3-4,18-8(12,13)14)19-9(15,16)17/h4-6H,2-3H2,1H3
InChIKeyFRIKETVFXFKSBD-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane?
The IUPAC name of 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane (CID 89409188) is 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane?
The canonical SMILES for 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane is CC1CC(F)C(OC(F)(F)F)(OC(F)(F)F)C(F)C1.
What is the InChIKey of 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane?
The InChIKey is FRIKETVFXFKSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8O2/c1-4-2-5(10)7(6(11)3-4,18-8(12,13)14)19-9(15,16)17/h4-6H,2-3H2,1H3.
What are the key properties of 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane?
2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane has a molecular weight of 302.16 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-methyl-1,1-bis(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 89409188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).