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

C3H2Cl5F3Si — CID 23235528

IUPACtrichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane
SMILESFC(F)(F)[C@H](Cl)[C@H](Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H2Cl5F3Si/c4-1(3(9,10)11)2(5)12(6,7)8/h1-2H/t1-,2-/m1/s1
InChIKeyUNYOKRBPWHYSJK-JCYAYHJZSA-N
MW300.39 g/mol
LogP3.96
Rot. Bonds2

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

trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane (PubChem CID 23235528) has the molecular formula C3H2Cl5F3Si and a molecular weight of 300.39 g/mol. Its IUPAC name is trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane.

Molecular Properties

Compound Nametrichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane
PubChem CID23235528
Molecular FormulaC3H2Cl5F3Si
Molecular Weight300.39 g/mol
Exact Mass297.83
IUPAC Nametrichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane
SMILESFC(F)(F)[C@H](Cl)[C@H](Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C3H2Cl5F3Si/c4-1(3(9,10)11)2(5)12(6,7)8/h1-2H/t1-,2-/m1/s1
InChIKeyUNYOKRBPWHYSJK-JCYAYHJZSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.96
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

trichloro(1,1,1-trifluoropropan-2-yl)silane
CID 13222400
2,4-dichloro-1,1,1,3-tetrafluorobutane
CID 54422561
trichloro-[(1S,2S)-1,2-dibromo-3,3,3-trifluoropropyl]silane
CID 23235530
tetrachlorosilane;tetrafluoromethane
CID 174408151
dichloro-methyl-(1,1,1-trifluoropropan-2-yl)silane
CID 13222398
dichloro-methyl-(1,2,2,2-tetrafluoroethyl)silane
CID 139648845
1-[(1S)-1-chloro-2,2,2-trifluoroethyl]-4-methylbenzene
CID 94794260
2,2-dichloro-1,1,1-trifluoroethane;sulfuryl dichloride
CID 19786045
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
4-chloro-5,5,5-trifluoro-2-methyl-3-nitropentan-2-ol
CID 88638581
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
2-chloro-2-(dichloromethoxy)-1,1,1-trifluoroethane
CID 14930244

Frequently Asked Questions

What is the IUPAC name of trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane?
The IUPAC name of trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane (CID 23235528) is trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane.
What is the SMILES notation for trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane?
The canonical SMILES for trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane is FC(F)(F)[C@H](Cl)[C@H](Cl)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane?
The InChIKey is UNYOKRBPWHYSJK-JCYAYHJZSA-N. The full InChI is InChI=1S/C3H2Cl5F3Si/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-dichloro-3,3,3-trifluoropropyl]silane?
trichloro-[(1S,2S)-1,2-dichloro-3,3,3-trifluoropropyl]silane has a molecular weight of 300.39 g/mol, XLogP of 3.96, 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-dichloro-3,3,3-trifluoropropyl]silane is sourced from PubChem (CID 23235528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).