2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone

C11H13F7O2 — CID 141123056

IUPAC2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
SMILESO=C(C1CCCCC1OCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C11H13F7O2/c12-9(13)10(14,15)5-20-7-4-2-1-3-6(7)8(19)11(16,17)18/h6-7,9H,1-5H2
InChIKeyPACVEJRUGSXSGP-UHFFFAOYSA-N
MW310.21 g/mol
LogP3.59
Rot. Bonds5

About 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone

2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone (PubChem CID 141123056) has the molecular formula C11H13F7O2 and a molecular weight of 310.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
PubChem CID141123056
Molecular FormulaC11H13F7O2
Molecular Weight310.21 g/mol
Exact Mass310.08
IUPAC Name2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone
SMILESO=C(C1CCCCC1OCC(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C11H13F7O2/c12-9(13)10(14,15)5-20-7-4-2-1-3-6(7)8(19)11(16,17)18/h6-7,9H,1-5H2
InChIKeyPACVEJRUGSXSGP-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone (CID 141123056) is 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone is O=C(C1CCCCC1OCC(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
The InChIKey is PACVEJRUGSXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F7O2/c12-9(13)10(14,15)5-20-7-4-2-1-3-6(7)8(19)11(16,17)18/h6-7,9H,1-5H2.
What are the key properties of 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone?
2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone has a molecular weight of 310.21 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]ethanone is sourced from PubChem (CID 141123056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).