chloro-bis(2,2,2-trifluoroethoxy)phosphane

C4H4ClF6O2P — CID 15722539

IUPACchloro-bis(2,2,2-trifluoroethoxy)phosphane
SMILESFC(F)(F)COP(Cl)OCC(F)(F)F
InChIInChI=1S/C4H4ClF6O2P/c5-14(12-1-3(6,7)8)13-2-4(9,10)11/h1-2H2
InChIKeyKQCVLSRYFLBBDD-UHFFFAOYSA-N
MW264.49 g/mol
LogP3.61
Rot. Bonds4

About chloro-bis(2,2,2-trifluoroethoxy)phosphane

chloro-bis(2,2,2-trifluoroethoxy)phosphane (PubChem CID 15722539) has the molecular formula C4H4ClF6O2P and a molecular weight of 264.49 g/mol. Its IUPAC name is chloro-bis(2,2,2-trifluoroethoxy)phosphane.

Molecular Properties

Compound Namechloro-bis(2,2,2-trifluoroethoxy)phosphane
PubChem CID15722539
Molecular FormulaC4H4ClF6O2P
Molecular Weight264.49 g/mol
Exact Mass263.95
IUPAC Namechloro-bis(2,2,2-trifluoroethoxy)phosphane
SMILESFC(F)(F)COP(Cl)OCC(F)(F)F
InChIInChI=1S/C4H4ClF6O2P/c5-14(12-1-3(6,7)8)13-2-4(9,10)11/h1-2H2
InChIKeyKQCVLSRYFLBBDD-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bis(2,2,2-trifluoroethoxy)phosphane?
The IUPAC name of chloro-bis(2,2,2-trifluoroethoxy)phosphane (CID 15722539) is chloro-bis(2,2,2-trifluoroethoxy)phosphane.
What is the SMILES notation for chloro-bis(2,2,2-trifluoroethoxy)phosphane?
The canonical SMILES for chloro-bis(2,2,2-trifluoroethoxy)phosphane is FC(F)(F)COP(Cl)OCC(F)(F)F.
What is the InChIKey of chloro-bis(2,2,2-trifluoroethoxy)phosphane?
The InChIKey is KQCVLSRYFLBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClF6O2P/c5-14(12-1-3(6,7)8)13-2-4(9,10)11/h1-2H2.
What are the key properties of chloro-bis(2,2,2-trifluoroethoxy)phosphane?
chloro-bis(2,2,2-trifluoroethoxy)phosphane has a molecular weight of 264.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(2,2,2-trifluoroethoxy)phosphane is sourced from PubChem (CID 15722539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).