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

C4H5BrF4O — CID 151013358

IUPAC1-bromo-3,3,4,4-tetrafluorobutan-1-ol
SMILESOC(Br)CC(F)(F)C(F)F
InChIInChI=1S/C4H5BrF4O/c5-2(10)1-4(8,9)3(6)7/h2-3,10H,1H2
InChIKeyLWOFCFCXTSOSLV-UHFFFAOYSA-N
MW224.98 g/mol
LogP1.99
Rot. Bonds3

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

1-bromo-3,3,4,4-tetrafluorobutan-1-ol (PubChem CID 151013358) has the molecular formula C4H5BrF4O and a molecular weight of 224.98 g/mol. Its IUPAC name is 1-bromo-3,3,4,4-tetrafluorobutan-1-ol.

Molecular Properties

Compound Name1-bromo-3,3,4,4-tetrafluorobutan-1-ol
PubChem CID151013358
Molecular FormulaC4H5BrF4O
Molecular Weight224.98 g/mol
Exact Mass223.95
IUPAC Name1-bromo-3,3,4,4-tetrafluorobutan-1-ol
SMILESOC(Br)CC(F)(F)C(F)F
InChIInChI=1S/C4H5BrF4O/c5-2(10)1-4(8,9)3(6)7/h2-3,10H,1H2
InChIKeyLWOFCFCXTSOSLV-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'}

Analyze 1-bromo-3,3,4,4-tetrafluorobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-4,4-difluorobutan-1-ol
CID 2736272
2,4-Dibromo-4,4-difluorobutan-1-ol
CID 85636182
3-Bromo-2,2-difluoropropan-1-ol
CID 112756501
3-Bromo-3,3-difluoropropan-1-ol
CID 154204660
5-Bromo-4,4,5,5-tetrafluoropentan-1-ol
CID 2736379
4-Bromo-3-fluorobutan-1-ol
CID 15906127
4-Bromo-3,3,4,4-tetrafluorobutan-1-ol
CID 2736369
CF3CHBrCF2CH2OH
CID 10466935
3-Bromo-2,2,3-trifluoropropan-1-ol
CID 23234994
2-Bromo-4,4,5,5,5-pentafluoropentan-1-ol
CID 46928251
3-Bromo-4,4,4-trifluoro-butan-1-ol
CID 56989405
2,4-Dibromo-4,5,5,5-tetrafluoropentan-1-ol
CID 86027877

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,3,4,4-tetrafluorobutan-1-ol?
The IUPAC name of 1-bromo-3,3,4,4-tetrafluorobutan-1-ol (CID 151013358) is 1-bromo-3,3,4,4-tetrafluorobutan-1-ol.
What is the SMILES notation for 1-bromo-3,3,4,4-tetrafluorobutan-1-ol?
The canonical SMILES for 1-bromo-3,3,4,4-tetrafluorobutan-1-ol is OC(Br)CC(F)(F)C(F)F.
What is the InChIKey of 1-bromo-3,3,4,4-tetrafluorobutan-1-ol?
The InChIKey is LWOFCFCXTSOSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrF4O/c5-2(10)1-4(8,9)3(6)7/h2-3,10H,1H2.
What are the key properties of 1-bromo-3,3,4,4-tetrafluorobutan-1-ol?
1-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 1-bromo-3,3,4,4-tetrafluorobutan-1-ol is sourced from PubChem (CID 151013358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).