2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol

C9H12F8O2 — CID 19028483

IUPAC2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol
SMILESCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C9H12F8O2/c1-2-3-19-5-7(12,13)9(16,17)8(14,15)6(10,11)4-18/h18H,2-5H2,1H3
InChIKeyYGCDOTOYFWJWFQ-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.95
Rot. Bonds8

About 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol

2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol (PubChem CID 19028483) has the molecular formula C9H12F8O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol
PubChem CID19028483
Molecular FormulaC9H12F8O2
Molecular Weight304.18 g/mol
Exact Mass304.07
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol
SMILESCCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C9H12F8O2/c1-2-3-19-5-7(12,13)9(16,17)8(14,15)6(10,11)4-18/h18H,2-5H2,1H3
InChIKeyYGCDOTOYFWJWFQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol (CID 19028483) is 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol is CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol?
The InChIKey is YGCDOTOYFWJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F8O2/c1-2-3-19-5-7(12,13)9(16,17)8(14,15)6(10,11)4-18/h18H,2-5H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol?
2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol has a molecular weight of 304.18 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-6-propoxyhexan-1-ol is sourced from PubChem (CID 19028483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).