2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane

C11H5F19O2 — CID 90262461

IUPAC2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C11H5F19O2/c1-3(13,14)5(16,17)6(18,19)4(15,8(21,22)23)10(27,28)32-7(20,9(24,25)26)11(29,30)31-2-12/h2H2,1H3
InChIKeyXGOSNNLMXYRNPD-UHFFFAOYSA-N
MW530.12 g/mol
LogP6.56
Rot. Bonds9

About 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane

2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane (PubChem CID 90262461) has the molecular formula C11H5F19O2 and a molecular weight of 530.12 g/mol. Its IUPAC name is 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane.

Molecular Properties

Compound Name2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane
PubChem CID90262461
Molecular FormulaC11H5F19O2
Molecular Weight530.12 g/mol
Exact Mass530.00
IUPAC Name2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF
InChIInChI=1S/C11H5F19O2/c1-3(13,14)5(16,17)6(18,19)4(15,8(21,22)23)10(27,28)32-7(20,9(24,25)26)11(29,30)31-2-12/h2H2,1H3
InChIKeyXGOSNNLMXYRNPD-UHFFFAOYSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.12
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane?
The IUPAC name of 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane (CID 90262461) is 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane.
What is the SMILES notation for 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane?
The canonical SMILES for 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane is CC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCF.
What is the InChIKey of 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane?
The InChIKey is XGOSNNLMXYRNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F19O2/c1-3(13,14)5(16,17)6(18,19)4(15,8(21,22)23)10(27,28)32-7(20,9(24,25)26)11(29,30)31-2-12/h2H2,1H3.
What are the key properties of 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane?
2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane has a molecular weight of 530.12 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-[1,1,1,2,3,3-hexafluoro-3-(fluoromethoxy)propan-2-yl]oxymethyl]-1,1,1,2,3,3,4,4,5,5-decafluorohexane is sourced from PubChem (CID 90262461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).