2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane

C12H15F9O3 — CID 58820888

IUPAC2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane
SMILESCC(F)(F)C(C)(F)OC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9O3/c1-8(13,14)9(2,15)24-10(11(16,17)18,12(19,20)21)23-7-5-3-4-6-22-7/h7H,3-6H2,1-2H3
InChIKeyFSGMTNZZLONZQK-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.71
Rot. Bonds5

About 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane

2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane (PubChem CID 58820888) has the molecular formula C12H15F9O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane
PubChem CID58820888
Molecular FormulaC12H15F9O3
Molecular Weight378.23 g/mol
Exact Mass378.09
IUPAC Name2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane
SMILESCC(F)(F)C(C)(F)OC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H15F9O3/c1-8(13,14)9(2,15)24-10(11(16,17)18,12(19,20)21)23-7-5-3-4-6-22-7/h7H,3-6H2,1-2H3
InChIKeyFSGMTNZZLONZQK-UHFFFAOYSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane?
The IUPAC name of 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane (CID 58820888) is 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane.
What is the SMILES notation for 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane?
The canonical SMILES for 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane is CC(F)(F)C(C)(F)OC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane?
The InChIKey is FSGMTNZZLONZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O3/c1-8(13,14)9(2,15)24-10(11(16,17)18,12(19,20)21)23-7-5-3-4-6-22-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane?
2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane has a molecular weight of 378.23 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane is sourced from PubChem (CID 58820888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).