3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane

C11H14F8 — CID 20770039

IUPAC3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane
SMILESCC1CC(C)(C(F)(F)F)C(F)(F)C(C(C)(F)F)C1F
InChIInChI=1S/C11H14F8/c1-5-4-8(2,11(17,18)19)10(15,16)7(6(5)12)9(3,13)14/h5-7H,4H2,1-3H3
InChIKeyQYOAJBKGLLAGCI-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.84
Rot. Bonds1

About 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane

3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane (PubChem CID 20770039) has the molecular formula C11H14F8 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane
PubChem CID20770039
Molecular FormulaC11H14F8
Molecular Weight298.22 g/mol
Exact Mass298.10
IUPAC Name3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane
SMILESCC1CC(C)(C(F)(F)F)C(F)(F)C(C(C)(F)F)C1F
InChIInChI=1S/C11H14F8/c1-5-4-8(2,11(17,18)19)10(15,16)7(6(5)12)9(3,13)14/h5-7H,4H2,1-3H3
InChIKeyQYOAJBKGLLAGCI-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane (CID 20770039) is 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane is CC1CC(C)(C(F)(F)F)C(F)(F)C(C(C)(F)F)C1F.
What is the InChIKey of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane?
The InChIKey is QYOAJBKGLLAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8/c1-5-4-8(2,11(17,18)19)10(15,16)7(6(5)12)9(3,13)14/h5-7H,4H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane?
3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane has a molecular weight of 298.22 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2,2,4-trifluoro-1,5-dimethyl-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 20770039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).