3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one

C10H11F3O2 — CID 125488891

IUPAC3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one
SMILESO=C1C=C(OCCC(F)=C(F)F)CCC1
InChIInChI=1S/C10H11F3O2/c11-9(10(12)13)4-5-15-8-3-1-2-7(14)6-8/h6H,1-5H2
InChIKeyRRZLRHYYVOZKBI-UHFFFAOYSA-N
MW220.19 g/mol
LogP3.11
Rot. Bonds4

About 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one

3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one (PubChem CID 125488891) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one
PubChem CID125488891
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one
SMILESO=C1C=C(OCCC(F)=C(F)F)CCC1
InChIInChI=1S/C10H11F3O2/c11-9(10(12)13)4-5-15-8-3-1-2-7(14)6-8/h6H,1-5H2
InChIKeyRRZLRHYYVOZKBI-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one?
The IUPAC name of 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one (CID 125488891) is 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one?
The canonical SMILES for 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one is O=C1C=C(OCCC(F)=C(F)F)CCC1.
What is the InChIKey of 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one?
The InChIKey is RRZLRHYYVOZKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-9(10(12)13)4-5-15-8-3-1-2-7(14)6-8/h6H,1-5H2.
What are the key properties of 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one?
3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one has a molecular weight of 220.19 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4-trifluorobut-3-enoxy)cyclohex-2-en-1-one is sourced from PubChem (CID 125488891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).