1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane

C5H3Br2Cl4F3 — CID 119097203

IUPAC1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane
SMILESFC(F)(Br)C(F)(Cl)C(Br)CC(Cl)(Cl)Cl
InChIInChI=1S/C5H3Br2Cl4F3/c6-2(1-3(8,9)10)4(11,12)5(7,13)14/h2H,1H2
InChIKeyHNDJQFMHDCUXFT-UHFFFAOYSA-N
MW421.69 g/mol
LogP5.40
Rot. Bonds3

About 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane

1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane (PubChem CID 119097203) has the molecular formula C5H3Br2Cl4F3 and a molecular weight of 421.69 g/mol. Its IUPAC name is 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane.

Molecular Properties

Compound Name1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane
PubChem CID119097203
Molecular FormulaC5H3Br2Cl4F3
Molecular Weight421.69 g/mol
Exact Mass417.73
IUPAC Name1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane
SMILESFC(F)(Br)C(F)(Cl)C(Br)CC(Cl)(Cl)Cl
InChIInChI=1S/C5H3Br2Cl4F3/c6-2(1-3(8,9)10)4(11,12)5(7,13)14/h2H,1H2
InChIKeyHNDJQFMHDCUXFT-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.69
LogP ≤ 55.40
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 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane?
The IUPAC name of 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane (CID 119097203) is 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane.
What is the SMILES notation for 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane?
The canonical SMILES for 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane is FC(F)(Br)C(F)(Cl)C(Br)CC(Cl)(Cl)Cl.
What is the InChIKey of 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane?
The InChIKey is HNDJQFMHDCUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2Cl4F3/c6-2(1-3(8,9)10)4(11,12)5(7,13)14/h2H,1H2.
What are the key properties of 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane?
1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane has a molecular weight of 421.69 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2,5,5,5-tetrachloro-1,1,2-trifluoropentane is sourced from PubChem (CID 119097203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).