(2R)-2-bromo-3,3,3-trifluoropropan-1-ol

C3H4BrF3O — CID 26986080

IUPAC(2R)-2-bromo-3,3,3-trifluoropropan-1-ol
SMILESOC[C@@H](Br)C(F)(F)F
InChIInChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2/t2-/m1/s1
InChIKeyFJNZCBUVTKMTNI-UWTATZPHSA-N
MW192.96 g/mol
LogP1.30
Rot. Bonds1

About (2R)-2-bromo-3,3,3-trifluoropropan-1-ol

(2R)-2-bromo-3,3,3-trifluoropropan-1-ol (PubChem CID 26986080) has the molecular formula C3H4BrF3O and a molecular weight of 192.96 g/mol. Its IUPAC name is (2R)-2-bromo-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name(2R)-2-bromo-3,3,3-trifluoropropan-1-ol
PubChem CID26986080
Molecular FormulaC3H4BrF3O
Molecular Weight192.96 g/mol
Exact Mass191.94
IUPAC Name(2R)-2-bromo-3,3,3-trifluoropropan-1-ol
SMILESOC[C@@H](Br)C(F)(F)F
InChIInChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2/t2-/m1/s1
InChIKeyFJNZCBUVTKMTNI-UWTATZPHSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-3,3,3-trifluoropropan-1-ol?
The IUPAC name of (2R)-2-bromo-3,3,3-trifluoropropan-1-ol (CID 26986080) is (2R)-2-bromo-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for (2R)-2-bromo-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for (2R)-2-bromo-3,3,3-trifluoropropan-1-ol is OC[C@@H](Br)C(F)(F)F.
What is the InChIKey of (2R)-2-bromo-3,3,3-trifluoropropan-1-ol?
The InChIKey is FJNZCBUVTKMTNI-UWTATZPHSA-N. The full InChI is InChI=1S/C3H4BrF3O/c4-2(1-8)3(5,6)7/h2,8H,1H2/t2-/m1/s1.
What are the key properties of (2R)-2-bromo-3,3,3-trifluoropropan-1-ol?
(2R)-2-bromo-3,3,3-trifluoropropan-1-ol has a molecular weight of 192.96 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 26986080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).