3-bromo-2,2,3-trifluoropropan-1-ol

C3H4BrF3O — CID 23234994

IUPAC3-bromo-2,2,3-trifluoropropan-1-ol
SMILESOCC(F)(F)C(F)Br
InChIInChI=1S/C3H4BrF3O/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKeyRLJURCPAAOUODR-UHFFFAOYSA-N
MW192.96 g/mol
LogP1.30
Rot. Bonds2

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

3-bromo-2,2,3-trifluoropropan-1-ol (PubChem CID 23234994) has the molecular formula C3H4BrF3O and a molecular weight of 192.96 g/mol. Its IUPAC name is 3-bromo-2,2,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name3-bromo-2,2,3-trifluoropropan-1-ol
PubChem CID23234994
Molecular FormulaC3H4BrF3O
Molecular Weight192.96 g/mol
Exact Mass191.94
IUPAC Name3-bromo-2,2,3-trifluoropropan-1-ol
SMILESOCC(F)(F)C(F)Br
InChIInChI=1S/C3H4BrF3O/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKeyRLJURCPAAOUODR-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.96
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-bromo-2,2,3-trifluoropropan-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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,2,3-trifluoropropan-1-ol?
The IUPAC name of 3-bromo-2,2,3-trifluoropropan-1-ol (CID 23234994) is 3-bromo-2,2,3-trifluoropropan-1-ol.
What is the SMILES notation for 3-bromo-2,2,3-trifluoropropan-1-ol?
The canonical SMILES for 3-bromo-2,2,3-trifluoropropan-1-ol is OCC(F)(F)C(F)Br.
What is the InChIKey of 3-bromo-2,2,3-trifluoropropan-1-ol?
The InChIKey is RLJURCPAAOUODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4BrF3O/c4-2(5)3(6,7)1-8/h2,8H,1H2.
What are the key properties of 3-bromo-2,2,3-trifluoropropan-1-ol?
3-bromo-2,2,3-trifluoropropan-1-ol has a molecular weight of 192.96 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,2,3-trifluoropropan-1-ol is sourced from PubChem (CID 23234994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).