1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol

C6H3F11O2 — CID 57311074

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESOC(OCC(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O2/c7-2(8,4(9,10)11)1-19-3(18,5(12,13)14)6(15,16)17/h18H,1H2
InChIKeyJKZGEBSLAGMROP-UHFFFAOYSA-N
MW316.07 g/mol
LogP3.01
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol (PubChem CID 57311074) has the molecular formula C6H3F11O2 and a molecular weight of 316.07 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
PubChem CID57311074
Molecular FormulaC6H3F11O2
Molecular Weight316.07 g/mol
Exact Mass316.00
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
SMILESOC(OCC(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O2/c7-2(8,4(9,10)11)1-19-3(18,5(12,13)14)6(15,16)17/h18H,1H2
InChIKeyJKZGEBSLAGMROP-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.07
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol (CID 57311074) is 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol is OC(OCC(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
The InChIKey is JKZGEBSLAGMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O2/c7-2(8,4(9,10)11)1-19-3(18,5(12,13)14)6(15,16)17/h18H,1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol has a molecular weight of 316.07 g/mol, XLogP of 3.01, 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-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol is sourced from PubChem (CID 57311074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).