(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane

C3H2Br2F4 — CID 97291114

IUPAC(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
SMILESF[C@@H](Br)[C@@H](Br)C(F)(F)F
InChIInChI=1S/C3H2Br2F4/c4-1(2(5)6)3(7,8)9/h1-2H/t1-,2-/m1/s1
InChIKeyKNBBSZLIGCLFTQ-JCYAYHJZSA-N
MW273.85 g/mol
LogP3.00
Rot. Bonds1

About (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane

(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane (PubChem CID 97291114) has the molecular formula C3H2Br2F4 and a molecular weight of 273.85 g/mol. Its IUPAC name is (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane.

Molecular Properties

Compound Name(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
PubChem CID97291114
Molecular FormulaC3H2Br2F4
Molecular Weight273.85 g/mol
Exact Mass271.85
IUPAC Name(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
SMILESF[C@@H](Br)[C@@H](Br)C(F)(F)F
InChIInChI=1S/C3H2Br2F4/c4-1(2(5)6)3(7,8)9/h1-2H/t1-,2-/m1/s1
InChIKeyKNBBSZLIGCLFTQ-JCYAYHJZSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.00
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,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane?
The IUPAC name of (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane (CID 97291114) is (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane.
What is the SMILES notation for (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane?
The canonical SMILES for (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane is F[C@@H](Br)[C@@H](Br)C(F)(F)F.
What is the InChIKey of (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane?
The InChIKey is KNBBSZLIGCLFTQ-JCYAYHJZSA-N. The full InChI is InChI=1S/C3H2Br2F4/c4-1(2(5)6)3(7,8)9/h1-2H/t1-,2-/m1/s1.
What are the key properties of (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane?
(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane has a molecular weight of 273.85 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane is sourced from PubChem (CID 97291114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).