4-bromo-3,3,4,4-tetrafluorobutan-1-ol

C4H5BrF4O — CID 2736369

IUPAC4-bromo-3,3,4,4-tetrafluorobutan-1-ol
SMILESOCCC(F)(F)C(F)(F)Br
InChIInChI=1S/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2
InChIKeyRTTCOQHNKANLOS-UHFFFAOYSA-N
MW224.98 g/mol
LogP1.99
Rot. Bonds3

About 4-bromo-3,3,4,4-tetrafluorobutan-1-ol

4-bromo-3,3,4,4-tetrafluorobutan-1-ol (PubChem CID 2736369) has the molecular formula C4H5BrF4O and a molecular weight of 224.98 g/mol. Its IUPAC name is 4-bromo-3,3,4,4-tetrafluorobutan-1-ol.

Molecular Properties

Compound Name4-bromo-3,3,4,4-tetrafluorobutan-1-ol
PubChem CID2736369
Molecular FormulaC4H5BrF4O
Molecular Weight224.98 g/mol
Exact Mass223.95
IUPAC Name4-bromo-3,3,4,4-tetrafluorobutan-1-ol
SMILESOCCC(F)(F)C(F)(F)Br
InChIInChI=1S/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2
InChIKeyRTTCOQHNKANLOS-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.98
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3,4,4-tetrafluorobutan-1-ol?
The IUPAC name of 4-bromo-3,3,4,4-tetrafluorobutan-1-ol (CID 2736369) is 4-bromo-3,3,4,4-tetrafluorobutan-1-ol.
What is the SMILES notation for 4-bromo-3,3,4,4-tetrafluorobutan-1-ol?
The canonical SMILES for 4-bromo-3,3,4,4-tetrafluorobutan-1-ol is OCCC(F)(F)C(F)(F)Br.
What is the InChIKey of 4-bromo-3,3,4,4-tetrafluorobutan-1-ol?
The InChIKey is RTTCOQHNKANLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2.
What are the key properties of 4-bromo-3,3,4,4-tetrafluorobutan-1-ol?
4-bromo-3,3,4,4-tetrafluorobutan-1-ol has a molecular weight of 224.98 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3,4,4-tetrafluorobutan-1-ol is sourced from PubChem (CID 2736369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).