5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane

C9H11F5O — CID 89312058

IUPAC5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane
SMILESC=CC1CC(F)C(OC(F)(F)F)C(F)C1
InChIInChI=1S/C9H11F5O/c1-2-5-3-6(10)8(7(11)4-5)15-9(12,13)14/h2,5-8H,1,3-4H2
InChIKeyUZDDDJINHWBZGI-UHFFFAOYSA-N
MW230.18 g/mol
LogP3.16
Rot. Bonds2

About 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane

5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane (PubChem CID 89312058) has the molecular formula C9H11F5O and a molecular weight of 230.18 g/mol. Its IUPAC name is 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane
PubChem CID89312058
Molecular FormulaC9H11F5O
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane
SMILESC=CC1CC(F)C(OC(F)(F)F)C(F)C1
InChIInChI=1S/C9H11F5O/c1-2-5-3-6(10)8(7(11)4-5)15-9(12,13)14/h2,5-8H,1,3-4H2
InChIKeyUZDDDJINHWBZGI-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane?
The IUPAC name of 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane (CID 89312058) is 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane is C=CC1CC(F)C(OC(F)(F)F)C(F)C1.
What is the InChIKey of 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane?
The InChIKey is UZDDDJINHWBZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O/c1-2-5-3-6(10)8(7(11)4-5)15-9(12,13)14/h2,5-8H,1,3-4H2.
What are the key properties of 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane?
5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane has a molecular weight of 230.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,3-difluoro-2-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 89312058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).