1,1,2-tribromo-1,3,3,3-tetrafluoropropane

C3HBr3F4 — CID 165362109

IUPAC1,1,2-tribromo-1,3,3,3-tetrafluoropropane
SMILESFC(F)(F)C(Br)C(F)(Br)Br
InChIInChI=1S/C3HBr3F4/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKeyYXSWRLXKYASIPJ-UHFFFAOYSA-N
MW352.75 g/mol
LogP3.73
Rot. Bonds1

About 1,1,2-tribromo-1,3,3,3-tetrafluoropropane

1,1,2-tribromo-1,3,3,3-tetrafluoropropane (PubChem CID 165362109) has the molecular formula C3HBr3F4 and a molecular weight of 352.75 g/mol. Its IUPAC name is 1,1,2-tribromo-1,3,3,3-tetrafluoropropane.

Molecular Properties

Compound Name1,1,2-tribromo-1,3,3,3-tetrafluoropropane
PubChem CID165362109
Molecular FormulaC3HBr3F4
Molecular Weight352.75 g/mol
Exact Mass349.76
IUPAC Name1,1,2-tribromo-1,3,3,3-tetrafluoropropane
SMILESFC(F)(F)C(Br)C(F)(Br)Br
InChIInChI=1S/C3HBr3F4/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKeyYXSWRLXKYASIPJ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 53.73
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 1,1,2-tribromo-1,3,3,3-tetrafluoropropane?
The IUPAC name of 1,1,2-tribromo-1,3,3,3-tetrafluoropropane (CID 165362109) is 1,1,2-tribromo-1,3,3,3-tetrafluoropropane.
What is the SMILES notation for 1,1,2-tribromo-1,3,3,3-tetrafluoropropane?
The canonical SMILES for 1,1,2-tribromo-1,3,3,3-tetrafluoropropane is FC(F)(F)C(Br)C(F)(Br)Br.
What is the InChIKey of 1,1,2-tribromo-1,3,3,3-tetrafluoropropane?
The InChIKey is YXSWRLXKYASIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBr3F4/c4-1(2(5,6)7)3(8,9)10/h1H.
What are the key properties of 1,1,2-tribromo-1,3,3,3-tetrafluoropropane?
1,1,2-tribromo-1,3,3,3-tetrafluoropropane has a molecular weight of 352.75 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromo-1,3,3,3-tetrafluoropropane is sourced from PubChem (CID 165362109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).