2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol

C6H4F10O2 — CID 12541675

IUPAC2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol
SMILESOCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10O2/c7-2(3(8,9)1-17)18-6(15,16)4(10,11)5(12,13)14/h2,17H,1H2
InChIKeyPUKKRYWSWBRAIN-UHFFFAOYSA-N
MW298.08 g/mol
LogP2.72
Rot. Bonds5

About 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol

2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol (PubChem CID 12541675) has the molecular formula C6H4F10O2 and a molecular weight of 298.08 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol
PubChem CID12541675
Molecular FormulaC6H4F10O2
Molecular Weight298.08 g/mol
Exact Mass298.01
IUPAC Name2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol
SMILESOCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H4F10O2/c7-2(3(8,9)1-17)18-6(15,16)4(10,11)5(12,13)14/h2,17H,1H2
InChIKeyPUKKRYWSWBRAIN-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol?
The IUPAC name of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol (CID 12541675) is 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol.
What is the SMILES notation for 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol?
The canonical SMILES for 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol is OCC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol?
The InChIKey is PUKKRYWSWBRAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10O2/c7-2(3(8,9)1-17)18-6(15,16)4(10,11)5(12,13)14/h2,17H,1H2.
What are the key properties of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol?
2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol has a molecular weight of 298.08 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-ol is sourced from PubChem (CID 12541675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).