(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane

C4H4Br2ClF3 — CID 86308801

IUPAC(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane
SMILESFC(F)(Br)[C@](F)(Cl)CCBr
InChIInChI=1S/C4H4Br2ClF3/c5-2-1-3(7,8)4(6,9)10/h1-2H2/t3-/m0/s1
InChIKeyRJOGGYLEOPNVJV-VKHMYHEASA-N
MW304.33 g/mol
LogP3.66
Rot. Bonds3

About (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane

(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane (PubChem CID 86308801) has the molecular formula C4H4Br2ClF3 and a molecular weight of 304.33 g/mol. Its IUPAC name is (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane.

Molecular Properties

Compound Name(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane
PubChem CID86308801
Molecular FormulaC4H4Br2ClF3
Molecular Weight304.33 g/mol
Exact Mass301.83
IUPAC Name(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane
SMILESFC(F)(Br)[C@](F)(Cl)CCBr
InChIInChI=1S/C4H4Br2ClF3/c5-2-1-3(7,8)4(6,9)10/h1-2H2/t3-/m0/s1
InChIKeyRJOGGYLEOPNVJV-VKHMYHEASA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane?
The IUPAC name of (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane (CID 86308801) is (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane.
What is the SMILES notation for (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane?
The canonical SMILES for (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane is FC(F)(Br)[C@](F)(Cl)CCBr.
What is the InChIKey of (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane?
The InChIKey is RJOGGYLEOPNVJV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H4Br2ClF3/c5-2-1-3(7,8)4(6,9)10/h1-2H2/t3-/m0/s1.
What are the key properties of (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane?
(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane has a molecular weight of 304.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane is sourced from PubChem (CID 86308801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).