1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane

C3BrCl3F4 — CID 15921925

IUPAC1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
SMILESFC(F)(Cl)C(F)(F)C(Cl)(Cl)Br
InChIInChI=1S/C3BrCl3F4/c4-2(5,6)1(8,9)3(7,10)11
InChIKeyNIOSZFGLOHSDHR-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.98
Rot. Bonds2

About 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane

1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane (PubChem CID 15921925) has the molecular formula C3BrCl3F4 and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane.

Molecular Properties

Compound Name1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
PubChem CID15921925
Molecular FormulaC3BrCl3F4
Molecular Weight298.29 g/mol
Exact Mass295.82
IUPAC Name1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane
SMILESFC(F)(Cl)C(F)(F)C(Cl)(Cl)Br
InChIInChI=1S/C3BrCl3F4/c4-2(5,6)1(8,9)3(7,10)11
InChIKeyNIOSZFGLOHSDHR-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.98
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 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane?
The IUPAC name of 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane (CID 15921925) is 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane.
What is the SMILES notation for 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane?
The canonical SMILES for 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane is FC(F)(Cl)C(F)(F)C(Cl)(Cl)Br.
What is the InChIKey of 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane?
The InChIKey is NIOSZFGLOHSDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrCl3F4/c4-2(5,6)1(8,9)3(7,10)11.
What are the key properties of 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane?
1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane has a molecular weight of 298.29 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1,3-trichloro-2,2,3,3-tetrafluoropropane is sourced from PubChem (CID 15921925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).