1-bromo-1,1,2,2-tetrafluorooctan-3-ol

C8H13BrF4O — CID 533683

IUPAC1-bromo-1,1,2,2-tetrafluorooctan-3-ol
SMILESCCCCCC(O)C(F)(F)C(F)(F)Br
InChIInChI=1S/C8H13BrF4O/c1-2-3-4-5-6(14)7(10,11)8(9,12)13/h6,14H,2-5H2,1H3
InChIKeyAXBZKQKVSKVCNT-UHFFFAOYSA-N
MW281.09 g/mol
LogP3.55
Rot. Bonds6

About 1-bromo-1,1,2,2-tetrafluorooctan-3-ol

1-bromo-1,1,2,2-tetrafluorooctan-3-ol (PubChem CID 533683) has the molecular formula C8H13BrF4O and a molecular weight of 281.09 g/mol. Its IUPAC name is 1-bromo-1,1,2,2-tetrafluorooctan-3-ol.

Molecular Properties

Compound Name1-bromo-1,1,2,2-tetrafluorooctan-3-ol
PubChem CID533683
Molecular FormulaC8H13BrF4O
Molecular Weight281.09 g/mol
Exact Mass280.01
IUPAC Name1-bromo-1,1,2,2-tetrafluorooctan-3-ol
SMILESCCCCCC(O)C(F)(F)C(F)(F)Br
InChIInChI=1S/C8H13BrF4O/c1-2-3-4-5-6(14)7(10,11)8(9,12)13/h6,14H,2-5H2,1H3
InChIKeyAXBZKQKVSKVCNT-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.09
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-methylheptadecane-2,3-diol
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CID 98120472
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1,2,2-tetrafluorooctan-3-ol?
The IUPAC name of 1-bromo-1,1,2,2-tetrafluorooctan-3-ol (CID 533683) is 1-bromo-1,1,2,2-tetrafluorooctan-3-ol.
What is the SMILES notation for 1-bromo-1,1,2,2-tetrafluorooctan-3-ol?
The canonical SMILES for 1-bromo-1,1,2,2-tetrafluorooctan-3-ol is CCCCCC(O)C(F)(F)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1,2,2-tetrafluorooctan-3-ol?
The InChIKey is AXBZKQKVSKVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF4O/c1-2-3-4-5-6(14)7(10,11)8(9,12)13/h6,14H,2-5H2,1H3.
What are the key properties of 1-bromo-1,1,2,2-tetrafluorooctan-3-ol?
1-bromo-1,1,2,2-tetrafluorooctan-3-ol has a molecular weight of 281.09 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,2,2-tetrafluorooctan-3-ol is sourced from PubChem (CID 533683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).