1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane

C12H19F5 — CID 58807718

IUPAC1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane
SMILESCCC1CC(C)(C)C(F)(F)C(F)(C(C)(F)F)C1
InChIInChI=1S/C12H19F5/c1-5-8-6-9(2,3)12(16,17)11(15,7-8)10(4,13)14/h8H,5-7H2,1-4H3
InChIKeyBCNGRWZIPATFMN-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.83
Rot. Bonds2

About 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane

1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane (PubChem CID 58807718) has the molecular formula C12H19F5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane
PubChem CID58807718
Molecular FormulaC12H19F5
Molecular Weight258.27 g/mol
Exact Mass258.14
IUPAC Name1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane
SMILESCCC1CC(C)(C)C(F)(F)C(F)(C(C)(F)F)C1
InChIInChI=1S/C12H19F5/c1-5-8-6-9(2,3)12(16,17)11(15,7-8)10(4,13)14/h8H,5-7H2,1-4H3
InChIKeyBCNGRWZIPATFMN-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane?
The IUPAC name of 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane (CID 58807718) is 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane.
What is the SMILES notation for 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane?
The canonical SMILES for 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane is CCC1CC(C)(C)C(F)(F)C(F)(C(C)(F)F)C1.
What is the InChIKey of 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane?
The InChIKey is BCNGRWZIPATFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F5/c1-5-8-6-9(2,3)12(16,17)11(15,7-8)10(4,13)14/h8H,5-7H2,1-4H3.
What are the key properties of 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane?
1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane has a molecular weight of 258.27 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-5-ethyl-1,2,2-trifluoro-3,3-dimethylcyclohexane is sourced from PubChem (CID 58807718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).