(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane

C4HBr2ClF6 — CID 95036369

IUPAC(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)(F)[C@@H](Br)[C@@](Cl)(Br)C(F)(F)F
InChIInChI=1S/C4HBr2ClF6/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H/t1-,2-/m0/s1
InChIKeyZMYHDNKORPYGEM-LWMBPPNESA-N
MW358.30 g/mol
LogP4.20
Rot. Bonds1

About (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane

(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane (PubChem CID 95036369) has the molecular formula C4HBr2ClF6 and a molecular weight of 358.30 g/mol. Its IUPAC name is (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane.

Molecular Properties

Compound Name(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane
PubChem CID95036369
Molecular FormulaC4HBr2ClF6
Molecular Weight358.30 g/mol
Exact Mass355.80
IUPAC Name(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane
SMILESFC(F)(F)[C@@H](Br)[C@@](Cl)(Br)C(F)(F)F
InChIInChI=1S/C4HBr2ClF6/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H/t1-,2-/m0/s1
InChIKeyZMYHDNKORPYGEM-LWMBPPNESA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 54.20
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 (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane?
The IUPAC name of (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane (CID 95036369) is (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane.
What is the SMILES notation for (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane?
The canonical SMILES for (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane is FC(F)(F)[C@@H](Br)[C@@](Cl)(Br)C(F)(F)F.
What is the InChIKey of (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane?
The InChIKey is ZMYHDNKORPYGEM-LWMBPPNESA-N. The full InChI is InChI=1S/C4HBr2ClF6/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H/t1-,2-/m0/s1.
What are the key properties of (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane?
(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane has a molecular weight of 358.30 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane is sourced from PubChem (CID 95036369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).