1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol

C7H7F9O2 — CID 58820928

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol
SMILESCC(F)(F)C(C)(F)OC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O2/c1-3(8,9)4(2,10)18-5(17,6(11,12)13)7(14,15)16/h17H,1-2H3
InChIKeyGTGLQVXIMINDMG-UHFFFAOYSA-N
MW294.11 g/mol
LogP3.16
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol (PubChem CID 58820928) has the molecular formula C7H7F9O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol
PubChem CID58820928
Molecular FormulaC7H7F9O2
Molecular Weight294.11 g/mol
Exact Mass294.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol
SMILESCC(F)(F)C(C)(F)OC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O2/c1-3(8,9)4(2,10)18-5(17,6(11,12)13)7(14,15)16/h17H,1-2H3
InChIKeyGTGLQVXIMINDMG-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol (CID 58820928) is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol is CC(F)(F)C(C)(F)OC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol?
The InChIKey is GTGLQVXIMINDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O2/c1-3(8,9)4(2,10)18-5(17,6(11,12)13)7(14,15)16/h17H,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol has a molecular weight of 294.11 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-ol is sourced from PubChem (CID 58820928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).