1,1,1,2,3-pentabromo-3-fluoropropane

C3H2Br5F — CID 165362120

IUPAC1,1,1,2,3-pentabromo-3-fluoropropane
SMILESFC(Br)C(Br)C(Br)(Br)Br
InChIInChI=1S/C3H2Br5F/c4-1(2(5)9)3(6,7)8/h1-2H
InChIKeyDIHCHEPHLUOUMG-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.28
Rot. Bonds1

About 1,1,1,2,3-pentabromo-3-fluoropropane

1,1,1,2,3-pentabromo-3-fluoropropane (PubChem CID 165362120) has the molecular formula C3H2Br5F and a molecular weight of 456.57 g/mol. Its IUPAC name is 1,1,1,2,3-pentabromo-3-fluoropropane.

Molecular Properties

Compound Name1,1,1,2,3-pentabromo-3-fluoropropane
PubChem CID165362120
Molecular FormulaC3H2Br5F
Molecular Weight456.57 g/mol
Exact Mass451.61
IUPAC Name1,1,1,2,3-pentabromo-3-fluoropropane
SMILESFC(Br)C(Br)C(Br)(Br)Br
InChIInChI=1S/C3H2Br5F/c4-1(2(5)9)3(6,7)8/h1-2H
InChIKeyDIHCHEPHLUOUMG-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
CID 97291114
1,1,2,3,3-pentabromo-1-fluoropropane
CID 5463818
2,3,4,5-tetrabromo-2,5-dimethylhexane
CID 87971096
2-bromo-1,1-difluoro-2-methylpropane
CID 139401194
3-bromo-1,1,1,2,3-pentafluoropropane
CID 101059408
(2S,3S)-2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
CID 97291901
1,1,1,2-tetrabromo-2-chloroethane
CID 3852894
2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
CID 171780319
1,3-dibromo-1,1,3-trifluoropropane
CID 45075709
copper;fluoroform
CID 87139424
1,1,1,2-tetrabromo-4-chlorobutane
CID 54571852
1-bromo-1,2,3-trifluoropropane
CID 5463736

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3-pentabromo-3-fluoropropane?
The IUPAC name of 1,1,1,2,3-pentabromo-3-fluoropropane (CID 165362120) is 1,1,1,2,3-pentabromo-3-fluoropropane.
What is the SMILES notation for 1,1,1,2,3-pentabromo-3-fluoropropane?
The canonical SMILES for 1,1,1,2,3-pentabromo-3-fluoropropane is FC(Br)C(Br)C(Br)(Br)Br.
What is the InChIKey of 1,1,1,2,3-pentabromo-3-fluoropropane?
The InChIKey is DIHCHEPHLUOUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br5F/c4-1(2(5)9)3(6,7)8/h1-2H.
What are the key properties of 1,1,1,2,3-pentabromo-3-fluoropropane?
1,1,1,2,3-pentabromo-3-fluoropropane has a molecular weight of 456.57 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3-pentabromo-3-fluoropropane is sourced from PubChem (CID 165362120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).