(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane

C3Br2F4O2 — CID 10881236

IUPAC(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane
SMILESFC1(F)O[C@@](F)(Br)[C@](F)(Br)O1
InChIInChI=1S/C3Br2F4O2/c4-1(6)2(5,7)11-3(8,9)10-1/t1-,2-/m1/s1
InChIKeyTVLQYEWINOVNFN-JCYAYHJZSA-N
MW303.83 g/mol
LogP2.62
Rot. Bonds

About (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane

(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane (PubChem CID 10881236) has the molecular formula C3Br2F4O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane
PubChem CID10881236
Molecular FormulaC3Br2F4O2
Molecular Weight303.83 g/mol
Exact Mass301.82
IUPAC Name(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane
SMILESFC1(F)O[C@@](F)(Br)[C@](F)(Br)O1
InChIInChI=1S/C3Br2F4O2/c4-1(6)2(5,7)11-3(8,9)10-1/t1-,2-/m1/s1
InChIKeyTVLQYEWINOVNFN-JCYAYHJZSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 11055815
4,5-Dibromo-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 19099818
4-Bromo-2,2,4,5,5-pentafluoro-1,3-dioxolane
CID 19745410
2,2-Dibromo-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 142632714

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane?
The IUPAC name of (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane (CID 10881236) is (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane is FC1(F)O[C@@](F)(Br)[C@](F)(Br)O1.
What is the InChIKey of (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane?
The InChIKey is TVLQYEWINOVNFN-JCYAYHJZSA-N. The full InChI is InChI=1S/C3Br2F4O2/c4-1(6)2(5,7)11-3(8,9)10-1/t1-,2-/m1/s1.
What are the key properties of (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane?
(4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane has a molecular weight of 303.83 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-dibromo-2,2,4,5-tetrafluoro-1,3-dioxolane is sourced from PubChem (CID 10881236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).