5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one

C10H11F5O3 — CID 118482995

IUPAC5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one
SMILESC=CC(=O)CCOC1COC1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F5O3/c1-2-6(16)3-4-17-7-5-18-8(7)9(11,12)10(13,14)15/h2,7-8H,1,3-5H2
InChIKeyRCTLJVNBVHSXKW-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.11
Rot. Bonds6

About 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one

5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one (PubChem CID 118482995) has the molecular formula C10H11F5O3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one.

Molecular Properties

Compound Name5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one
PubChem CID118482995
Molecular FormulaC10H11F5O3
Molecular Weight274.19 g/mol
Exact Mass274.06
IUPAC Name5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one
SMILESC=CC(=O)CCOC1COC1C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F5O3/c1-2-6(16)3-4-17-7-5-18-8(7)9(11,12)10(13,14)15/h2,7-8H,1,3-5H2
InChIKeyRCTLJVNBVHSXKW-UHFFFAOYSA-N
XLogP2.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one?
The IUPAC name of 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one (CID 118482995) is 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one.
What is the SMILES notation for 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one?
The canonical SMILES for 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one is C=CC(=O)CCOC1COC1C(F)(F)C(F)(F)F.
What is the InChIKey of 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one?
The InChIKey is RCTLJVNBVHSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5O3/c1-2-6(16)3-4-17-7-5-18-8(7)9(11,12)10(13,14)15/h2,7-8H,1,3-5H2.
What are the key properties of 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one?
5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one has a molecular weight of 274.19 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,1,2,2,2-pentafluoroethyl)oxetan-3-yl]oxypent-1-en-3-one is sourced from PubChem (CID 118482995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).