(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane

C4H4Br2F4O — CID 51556798

IUPAC(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane
SMILESCO[C@@](F)(Br)[C@H](Br)C(F)(F)F
InChIInChI=1S/C4H4Br2F4O/c1-11-3(6,7)2(5)4(8,9)10/h2H,1H3/t2-,3+/m0/s1
InChIKeyPUPKPTWIRXQRGR-STHAYSLISA-N
MW303.88 g/mol
LogP2.98
Rot. Bonds2

About (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane

(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane (PubChem CID 51556798) has the molecular formula C4H4Br2F4O and a molecular weight of 303.88 g/mol. Its IUPAC name is (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane.

Molecular Properties

Compound Name(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane
PubChem CID51556798
Molecular FormulaC4H4Br2F4O
Molecular Weight303.88 g/mol
Exact Mass301.86
IUPAC Name(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane
SMILESCO[C@@](F)(Br)[C@H](Br)C(F)(F)F
InChIInChI=1S/C4H4Br2F4O/c1-11-3(6,7)2(5)4(8,9)10/h2H,1H3/t2-,3+/m0/s1
InChIKeyPUPKPTWIRXQRGR-STHAYSLISA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane?
The IUPAC name of (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane (CID 51556798) is (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane.
What is the SMILES notation for (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane?
The canonical SMILES for (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane is CO[C@@](F)(Br)[C@H](Br)C(F)(F)F.
What is the InChIKey of (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane?
The InChIKey is PUPKPTWIRXQRGR-STHAYSLISA-N. The full InChI is InChI=1S/C4H4Br2F4O/c1-11-3(6,7)2(5)4(8,9)10/h2H,1H3/t2-,3+/m0/s1.
What are the key properties of (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane?
(1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane has a molecular weight of 303.88 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-dibromo-1,3,3,3-tetrafluoro-1-methoxypropane is sourced from PubChem (CID 51556798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).