trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane

C3H2Br2Cl3F3Si — CID 23235530

IUPACtrichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane
SMILESFC(F)(F)[C@H](Br)[C@H](Br)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H2Br2Cl3F3Si/c4-1(3(9,10)11)2(5)12(6,7)8/h1-2H/t1-,2-/m1/s1
InChIKeyVJHNIOUPBHEHBZ-JCYAYHJZSA-N
MW389.30 g/mol
LogP4.27
Rot. Bonds2

About trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane

trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane (PubChem CID 23235530) has the molecular formula C3H2Br2Cl3F3Si and a molecular weight of 389.30 g/mol. Its IUPAC name is trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane.

Molecular Properties

Compound Nametrichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane
PubChem CID23235530
Molecular FormulaC3H2Br2Cl3F3Si
Molecular Weight389.30 g/mol
Exact Mass385.73
IUPAC Nametrichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane
SMILESFC(F)(F)[C@H](Br)[C@H](Br)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H2Br2Cl3F3Si/c4-1(3(9,10)11)2(5)12(6,7)8/h1-2H/t1-,2-/m1/s1
InChIKeyVJHNIOUPBHEHBZ-JCYAYHJZSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
CID 97291901
(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
CID 97291114
trichloro(1,1,1-trifluoropropan-2-yl)silane
CID 13222400
trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane
CID 23235528
tetrachlorosilane;tetrafluoromethane
CID 174408151
dichloro-methyl-(1,2,2,2-tetrafluoroethyl)silane
CID 139648845
dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane
CID 13222398
3-bromo-1,1,1,2,3-pentafluoropropane
CID 101059408
lithium;1-bromo-2,2,2-trifluoroethanol;hydride
CID 175003537
1,1,2,3,3-pentabromo-1-fluoropropane
CID 5463818
1,1,2-tribromo-1,3,3,3-tetrafluoropropane
CID 165362109
(2S,3R)-2,3-dibromo-2-chloro-1,1,1,4,4,4-hexafluorobutane
CID 95036369

Frequently Asked Questions

What is the IUPAC name of trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane?
The IUPAC name of trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane (CID 23235530) is trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane.
What is the SMILES notation for trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane?
The canonical SMILES for trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane is FC(F)(F)[C@H](Br)[C@H](Br)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane?
The InChIKey is VJHNIOUPBHEHBZ-JCYAYHJZSA-N. The full InChI is InChI=1S/C3H2Br2Cl3F3Si/c4-1(3(9,10)11)2(5)12(6,7)8/h1-2H/t1-,2-/m1/s1.
What are the key properties of trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane?
trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane has a molecular weight of 389.30 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane is sourced from PubChem (CID 23235530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).