(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane

C4H8BrClFOPS — CID 14821640

IUPAC(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCP(=S)(Cl)OC(F)CBr
InChIInChI=1S/C4H8BrClFOPS/c1-2-9(6,10)8-4(7)3-5/h4H,2-3H2,1H3
InChIKeyNNDXFKLYURGVMY-UHFFFAOYSA-N
MW269.50 g/mol
LogP3.26
Rot. Bonds4

About (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane

(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane (PubChem CID 14821640) has the molecular formula C4H8BrClFOPS and a molecular weight of 269.50 g/mol. Its IUPAC name is (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane
PubChem CID14821640
Molecular FormulaC4H8BrClFOPS
Molecular Weight269.50 g/mol
Exact Mass267.89
IUPAC Name(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane
SMILESCCP(=S)(Cl)OC(F)CBr
InChIInChI=1S/C4H8BrClFOPS/c1-2-9(6,10)8-4(7)3-5/h4H,2-3H2,1H3
InChIKeyNNDXFKLYURGVMY-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane (CID 14821640) is (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane is CCP(=S)(Cl)OC(F)CBr.
What is the InChIKey of (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane?
The InChIKey is NNDXFKLYURGVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrClFOPS/c1-2-9(6,10)8-4(7)3-5/h4H,2-3H2,1H3.
What are the key properties of (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane?
(2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane has a molecular weight of 269.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-fluoroethoxy)-chloro-ethyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14821640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).