trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane

C4H2Br2F4 — CID 163208720

IUPACtrans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
SMILESFC1(F)[C@@H](Br)[C@H](Br)C1(F)F
InChIInChI=1S/C4H2Br2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1
InChIKeyXRSQTUNBNGJXEO-LWMBPPNESA-N
MW285.86 g/mol
LogP2.80
Rot. Bonds

About trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane

trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane (PubChem CID 163208720) has the molecular formula C4H2Br2F4 and a molecular weight of 285.86 g/mol. Its IUPAC name is trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane.

Molecular Properties

Compound Nametrans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
PubChem CID163208720
Molecular FormulaC4H2Br2F4
Molecular Weight285.86 g/mol
Exact Mass283.85
IUPAC Nametrans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane
SMILESFC1(F)[C@@H](Br)[C@H](Br)C1(F)F
InChIInChI=1S/C4H2Br2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1
InChIKeyXRSQTUNBNGJXEO-LWMBPPNESA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
The IUPAC name of trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane (CID 163208720) is trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane.
What is the SMILES notation for trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
The canonical SMILES for trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane is FC1(F)[C@@H](Br)[C@H](Br)C1(F)F.
What is the InChIKey of trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
The InChIKey is XRSQTUNBNGJXEO-LWMBPPNESA-N. The full InChI is InChI=1S/C4H2Br2F4/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1.
What are the key properties of trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane?
trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane has a molecular weight of 285.86 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-3,4-dibromo-1,1,2,2-tetrafluorocyclobutane is sourced from PubChem (CID 163208720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).