dichloromethane;methylsulfanylmethane;trifluoroborane

C3H8BCl2F3S — CID 86625727

IUPACdichloromethane;methylsulfanylmethane;trifluoroborane
SMILESCSC.ClCCl.FB(F)F
InChIInChI=1S/C2H6S.CH2Cl2.BF3/c1-3-2;2-1-3;2-1(3)4/h1-2H3;1H2;
InChIKeyCIBZTVTXHFMVLO-UHFFFAOYSA-N
MW214.88 g/mol
LogP3.28
Rot. Bonds

About dichloromethane;methylsulfanylmethane;trifluoroborane

dichloromethane;methylsulfanylmethane;trifluoroborane (PubChem CID 86625727) has the molecular formula C3H8BCl2F3S and a molecular weight of 214.88 g/mol. Its IUPAC name is dichloromethane;methylsulfanylmethane;trifluoroborane.

Molecular Properties

Compound Namedichloromethane;methylsulfanylmethane;trifluoroborane
PubChem CID86625727
Molecular FormulaC3H8BCl2F3S
Molecular Weight214.88 g/mol
Exact Mass213.98
IUPAC Namedichloromethane;methylsulfanylmethane;trifluoroborane
SMILESCSC.ClCCl.FB(F)F
InChIInChI=1S/C2H6S.CH2Cl2.BF3/c1-3-2;2-1-3;2-1(3)4/h1-2H3;1H2;
InChIKeyCIBZTVTXHFMVLO-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.88
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dichloromethyl(dimethyl)sulfanium tetrafluoroborate
CID 12650863
Dichloromethane;methylsulfanylmethane;trihydrofluoride
CID 173164348

Frequently Asked Questions

What is the IUPAC name of dichloromethane;methylsulfanylmethane;trifluoroborane?
The IUPAC name of dichloromethane;methylsulfanylmethane;trifluoroborane (CID 86625727) is dichloromethane;methylsulfanylmethane;trifluoroborane.
What is the SMILES notation for dichloromethane;methylsulfanylmethane;trifluoroborane?
The canonical SMILES for dichloromethane;methylsulfanylmethane;trifluoroborane is CSC.ClCCl.FB(F)F.
What is the InChIKey of dichloromethane;methylsulfanylmethane;trifluoroborane?
The InChIKey is CIBZTVTXHFMVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.CH2Cl2.BF3/c1-3-2;2-1-3;2-1(3)4/h1-2H3;1H2;.
What are the key properties of dichloromethane;methylsulfanylmethane;trifluoroborane?
dichloromethane;methylsulfanylmethane;trifluoroborane has a molecular weight of 214.88 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methylsulfanylmethane;trifluoroborane is sourced from PubChem (CID 86625727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).