[1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate

C11H18F4O5 — CID 19748435

IUPAC[1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate
SMILESCC(=O)OCOC(COC(C)C)COC(F)(F)C(F)F
InChIInChI=1S/C11H18F4O5/c1-7(2)17-4-9(19-6-18-8(3)16)5-20-11(14,15)10(12)13/h7,9-10H,4-6H2,1-3H3
InChIKeyPDLOJYNFZGBQIC-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.19
Rot. Bonds10

About [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate

[1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate (PubChem CID 19748435) has the molecular formula C11H18F4O5 and a molecular weight of 306.25 g/mol. Its IUPAC name is [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate.

Molecular Properties

Compound Name[1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate
PubChem CID19748435
Molecular FormulaC11H18F4O5
Molecular Weight306.25 g/mol
Exact Mass306.11
IUPAC Name[1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate
SMILESCC(=O)OCOC(COC(C)C)COC(F)(F)C(F)F
InChIInChI=1S/C11H18F4O5/c1-7(2)17-4-9(19-6-18-8(3)16)5-20-11(14,15)10(12)13/h7,9-10H,4-6H2,1-3H3
InChIKeyPDLOJYNFZGBQIC-UHFFFAOYSA-N
XLogP2.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate?
The IUPAC name of [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate (CID 19748435) is [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate.
What is the SMILES notation for [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate?
The canonical SMILES for [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate is CC(=O)OCOC(COC(C)C)COC(F)(F)C(F)F.
What is the InChIKey of [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate?
The InChIKey is PDLOJYNFZGBQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4O5/c1-7(2)17-4-9(19-6-18-8(3)16)5-20-11(14,15)10(12)13/h7,9-10H,4-6H2,1-3H3.
What are the key properties of [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate?
[1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate has a molecular weight of 306.25 g/mol, XLogP of 2.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yloxy-3-(1,1,2,2-tetrafluoroethoxy)propan-2-yl]oxymethyl acetate is sourced from PubChem (CID 19748435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).