4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol

C11H15F5O2 — CID 151098513

IUPAC4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol
SMILESCC(C)=CC(O)CC1OCC1C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c1-6(2)3-7(17)4-9-8(5-18-9)10(12,13)11(14,15)16/h3,7-9,17H,4-5H2,1-2H3
InChIKeyMNPZTVIKWBVMMA-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.92
Rot. Bonds4

About 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol

4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol (PubChem CID 151098513) has the molecular formula C11H15F5O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol
PubChem CID151098513
Molecular FormulaC11H15F5O2
Molecular Weight274.23 g/mol
Exact Mass274.10
IUPAC Name4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol
SMILESCC(C)=CC(O)CC1OCC1C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F5O2/c1-6(2)3-7(17)4-9-8(5-18-9)10(12,13)11(14,15)16/h3,7-9,17H,4-5H2,1-2H3
InChIKeyMNPZTVIKWBVMMA-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
The IUPAC name of 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol (CID 151098513) is 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol.
What is the SMILES notation for 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
The canonical SMILES for 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol is CC(C)=CC(O)CC1OCC1C(F)(F)C(F)(F)F.
What is the InChIKey of 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
The InChIKey is MNPZTVIKWBVMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O2/c1-6(2)3-7(17)4-9-8(5-18-9)10(12,13)11(14,15)16/h3,7-9,17H,4-5H2,1-2H3.
What are the key properties of 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol?
4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol has a molecular weight of 274.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(1,1,2,2,2-pentafluoroethyl)oxetan-2-yl]pent-3-en-2-ol is sourced from PubChem (CID 151098513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).