chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane

C3H4ClF3O2PS- — CID 154061893

IUPACchloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
SMILES[O-]P(=S)(CCl)OCC(F)(F)F
InChIInChI=1S/C3H5ClF3O2PS/c4-2-10(8,11)9-1-3(5,6)7/h1-2H2,(H,8,11)/p-1
InChIKeyVCGFMEYZEPUVCS-UHFFFAOYSA-M
MW227.55 g/mol
LogP1.43
Rot. Bonds3

About chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane

chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane (PubChem CID 154061893) has the molecular formula C3H4ClF3O2PS- and a molecular weight of 227.55 g/mol. Its IUPAC name is chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.

Molecular Properties

Compound Namechloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
PubChem CID154061893
Molecular FormulaC3H4ClF3O2PS-
Molecular Weight227.55 g/mol
Exact Mass226.93
IUPAC Namechloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
SMILES[O-]P(=S)(CCl)OCC(F)(F)F
InChIInChI=1S/C3H5ClF3O2PS/c4-2-10(8,11)9-1-3(5,6)7/h1-2H2,(H,8,11)/p-1
InChIKeyVCGFMEYZEPUVCS-UHFFFAOYSA-M
XLogP1.43
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.55
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
CID 175761195
2-[[chloro(dideuterio)methyl]-(2,2,2-trifluoroethoxy)phosphoryl]oxy-1,1,1-trifluoroethane
CID 11808614
hydroxy-methylsulfanyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 174548600
1,1,1-trifluoro-2-[trichloromethyl(2,2,2-trifluoroethoxy)phosphoryl]oxyethane
CID 13134372
hydroxy-pentyl-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 88693701
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
dimethyl-methylimino-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 21353004
bis(fluoromethyl) 2,2,2-trifluoroethyl phosphate
CID 170100771
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
fluoro 2,2,2-trifluoroethyl phosphate;tetraethylazanium
CID 175262546
chloro-methyl-sulfanylidene-(2,2,2-trifluoroethyl)-λ5-phosphane
CID 141118744
bis(2,2,2-trifluoroethyl) phosphate;ethyl-di(propan-2-yl)azanium
CID 162246808

Frequently Asked Questions

What is the IUPAC name of chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The IUPAC name of chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane (CID 154061893) is chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane.
What is the SMILES notation for chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The canonical SMILES for chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane is [O-]P(=S)(CCl)OCC(F)(F)F.
What is the InChIKey of chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
The InChIKey is VCGFMEYZEPUVCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5ClF3O2PS/c4-2-10(8,11)9-1-3(5,6)7/h1-2H2,(H,8,11)/p-1.
What are the key properties of chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane?
chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane has a molecular weight of 227.55 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-oxido-sulfanylidene-(2,2,2-trifluoroethoxy)-λ5-phosphane is sourced from PubChem (CID 154061893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).