chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane

C3H5ClF3PS — CID 141118744

IUPACchloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane
SMILESCP(=S)(Cl)CC(F)(F)F
InChIInChI=1S/C3H5ClF3PS/c1-8(4,9)2-3(5,6)7/h2H2,1H3
InChIKeyUQBUDUSKSVPPEV-UHFFFAOYSA-N
MW196.56 g/mol
LogP2.81
Rot. Bonds1

About chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane

chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane (PubChem CID 141118744) has the molecular formula C3H5ClF3PS and a molecular weight of 196.56 g/mol. Its IUPAC name is chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane.

Molecular Properties

Compound Namechloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane
PubChem CID141118744
Molecular FormulaC3H5ClF3PS
Molecular Weight196.56 g/mol
Exact Mass195.95
IUPAC Namechloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane
SMILESCP(=S)(Cl)CC(F)(F)F
InChIInChI=1S/C3H5ClF3PS/c1-8(4,9)2-3(5,6)7/h2H2,1H3
InChIKeyUQBUDUSKSVPPEV-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane?
The IUPAC name of chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane (CID 141118744) is chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane.
What is the SMILES notation for chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane?
The canonical SMILES for chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane is CP(=S)(Cl)CC(F)(F)F.
What is the InChIKey of chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane?
The InChIKey is UQBUDUSKSVPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF3PS/c1-8(4,9)2-3(5,6)7/h2H2,1H3.
What are the key properties of chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane?
chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane has a molecular weight of 196.56 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane is sourced from PubChem (CID 141118744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).