dichloromethane;methylsulfanylmethane;trihydrofluoride

C3H11Cl2F3S — CID 173164348

IUPACdichloromethane;methylsulfanylmethane;trihydrofluoride
SMILESCSC.ClCCl.F.F.F
InChIInChI=1S/C2H6S.CH2Cl2.3FH/c1-3-2;2-1-3;;;/h1-2H3;1H2;3*1H
InChIKeyYJIOJWRFSZWAJU-UHFFFAOYSA-N
MW207.09 g/mol
LogP2.86
Rot. Bonds

About dichloromethane;methylsulfanylmethane;trihydrofluoride

dichloromethane;methylsulfanylmethane;trihydrofluoride (PubChem CID 173164348) has the molecular formula C3H11Cl2F3S and a molecular weight of 207.09 g/mol. Its IUPAC name is dichloromethane;methylsulfanylmethane;trihydrofluoride.

Molecular Properties

Compound Namedichloromethane;methylsulfanylmethane;trihydrofluoride
PubChem CID173164348
Molecular FormulaC3H11Cl2F3S
Molecular Weight207.09 g/mol
Exact Mass205.99
IUPAC Namedichloromethane;methylsulfanylmethane;trihydrofluoride
SMILESCSC.ClCCl.F.F.F
InChIInChI=1S/C2H6S.CH2Cl2.3FH/c1-3-2;2-1-3;;;/h1-2H3;1H2;3*1H
InChIKeyYJIOJWRFSZWAJU-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.09
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 dichloromethane;methylsulfanylmethane;trihydrofluoride?
The IUPAC name of dichloromethane;methylsulfanylmethane;trihydrofluoride (CID 173164348) is dichloromethane;methylsulfanylmethane;trihydrofluoride.
What is the SMILES notation for dichloromethane;methylsulfanylmethane;trihydrofluoride?
The canonical SMILES for dichloromethane;methylsulfanylmethane;trihydrofluoride is CSC.ClCCl.F.F.F.
What is the InChIKey of dichloromethane;methylsulfanylmethane;trihydrofluoride?
The InChIKey is YJIOJWRFSZWAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.CH2Cl2.3FH/c1-3-2;2-1-3;;;/h1-2H3;1H2;3*1H.
What are the key properties of dichloromethane;methylsulfanylmethane;trihydrofluoride?
dichloromethane;methylsulfanylmethane;trihydrofluoride has a molecular weight of 207.09 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;methylsulfanylmethane;trihydrofluoride is sourced from PubChem (CID 173164348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).