3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one

C10H13F3O2 — CID 65174981

IUPAC3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one
SMILESO=C1C=C(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H13F3O2/c11-10(12,13)7-15-5-1-2-8-3-4-9(14)6-8/h6H,1-5,7H2
InChIKeyAVIPFKPFXAAWDC-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.63
Rot. Bonds5

About 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one

3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one (PubChem CID 65174981) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one
PubChem CID65174981
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one
SMILESO=C1C=C(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H13F3O2/c11-10(12,13)7-15-5-1-2-8-3-4-9(14)6-8/h6H,1-5,7H2
InChIKeyAVIPFKPFXAAWDC-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one (CID 65174981) is 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one is O=C1C=C(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one?
The InChIKey is AVIPFKPFXAAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c11-10(12,13)7-15-5-1-2-8-3-4-9(14)6-8/h6H,1-5,7H2.
What are the key properties of 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one?
3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one has a molecular weight of 222.21 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopent-2-en-1-one is sourced from PubChem (CID 65174981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).