diethoxy(trifluoromethyl)phosphane

C5H10F3O2P — CID 12512958

IUPACdiethoxy(trifluoromethyl)phosphane
SMILESCCOP(OCC)C(F)(F)F
InChIInChI=1S/C5H10F3O2P/c1-3-9-11(10-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyKJRNXCVBRVQXJW-UHFFFAOYSA-N
MW190.10 g/mol
LogP2.89
Rot. Bonds4

About diethoxy(trifluoromethyl)phosphane

diethoxy(trifluoromethyl)phosphane (PubChem CID 12512958) has the molecular formula C5H10F3O2P and a molecular weight of 190.10 g/mol. Its IUPAC name is diethoxy(trifluoromethyl)phosphane.

Molecular Properties

Compound Namediethoxy(trifluoromethyl)phosphane
PubChem CID12512958
Molecular FormulaC5H10F3O2P
Molecular Weight190.10 g/mol
Exact Mass190.04
IUPAC Namediethoxy(trifluoromethyl)phosphane
SMILESCCOP(OCC)C(F)(F)F
InChIInChI=1S/C5H10F3O2P/c1-3-9-11(10-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKeyKJRNXCVBRVQXJW-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 52.89
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 diethoxy(trifluoromethyl)phosphane?
The IUPAC name of diethoxy(trifluoromethyl)phosphane (CID 12512958) is diethoxy(trifluoromethyl)phosphane.
What is the SMILES notation for diethoxy(trifluoromethyl)phosphane?
The canonical SMILES for diethoxy(trifluoromethyl)phosphane is CCOP(OCC)C(F)(F)F.
What is the InChIKey of diethoxy(trifluoromethyl)phosphane?
The InChIKey is KJRNXCVBRVQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O2P/c1-3-9-11(10-4-2)5(6,7)8/h3-4H2,1-2H3.
What are the key properties of diethoxy(trifluoromethyl)phosphane?
diethoxy(trifluoromethyl)phosphane has a molecular weight of 190.10 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(trifluoromethyl)phosphane is sourced from PubChem (CID 12512958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).