[difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane

C12H11F11O2 — CID 89220347

IUPAC[difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane
SMILESFC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H11F11O2/c13-7(14)8(15)24-12(22,23)10(18,11(19,20)21)25-9(16,17)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyAEWZWTIDIPPYOA-UHFFFAOYSA-N
MW396.20 g/mol
LogP6.05
Rot. Bonds6

About [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane

[difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane (PubChem CID 89220347) has the molecular formula C12H11F11O2 and a molecular weight of 396.20 g/mol. Its IUPAC name is [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name[difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane
PubChem CID89220347
Molecular FormulaC12H11F11O2
Molecular Weight396.20 g/mol
Exact Mass396.06
IUPAC Name[difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane
SMILESFC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H11F11O2/c13-7(14)8(15)24-12(22,23)10(18,11(19,20)21)25-9(16,17)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyAEWZWTIDIPPYOA-UHFFFAOYSA-N
XLogP6.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.20
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane?
The IUPAC name of [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane (CID 89220347) is [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane.
What is the SMILES notation for [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane?
The canonical SMILES for [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane is FC(F)=C(F)OC(F)(F)C(F)(OC(F)(F)C1CCCCC1)C(F)(F)F.
What is the InChIKey of [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane?
The InChIKey is AEWZWTIDIPPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F11O2/c13-7(14)8(15)24-12(22,23)10(18,11(19,20)21)25-9(16,17)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane?
[difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane has a molecular weight of 396.20 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxymethyl]cyclohexane is sourced from PubChem (CID 89220347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).