lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate

C4H4F6LiO4P — CID 165033649

IUPAClithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate
SMILESC=O.O=P([O-])(OCC(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C3H3F6O3P.CH2O.Li/c4-2(5,6)1-12-13(10,11)3(7,8)9;1-2;/h1H2,(H,10,11);1H2;/q;;+1/p-1
InChIKeyNAXFQKROFAIKDX-UHFFFAOYSA-M
MW267.97 g/mol
LogP-1.54
Rot. Bonds2

About lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate

lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate (PubChem CID 165033649) has the molecular formula C4H4F6LiO4P and a molecular weight of 267.97 g/mol. Its IUPAC name is lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate.

Molecular Properties

Compound Namelithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate
PubChem CID165033649
Molecular FormulaC4H4F6LiO4P
Molecular Weight267.97 g/mol
Exact Mass267.99
IUPAC Namelithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate
SMILESC=O.O=P([O-])(OCC(F)(F)F)C(F)(F)F.[Li+]
InChIInChI=1S/C3H3F6O3P.CH2O.Li/c4-2(5,6)1-12-13(10,11)3(7,8)9;1-2;/h1H2,(H,10,11);1H2;/q;;+1/p-1
InChIKeyNAXFQKROFAIKDX-UHFFFAOYSA-M
XLogP-1.54
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.97
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate?
The IUPAC name of lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate (CID 165033649) is lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate.
What is the SMILES notation for lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate?
The canonical SMILES for lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate is C=O.O=P([O-])(OCC(F)(F)F)C(F)(F)F.[Li+].
What is the InChIKey of lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate?
The InChIKey is NAXFQKROFAIKDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F6O3P.CH2O.Li/c4-2(5,6)1-12-13(10,11)3(7,8)9;1-2;/h1H2,(H,10,11);1H2;/q;;+1/p-1.
What are the key properties of lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate?
lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate has a molecular weight of 267.97 g/mol, XLogP of -1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;formaldehyde;2,2,2-trifluoroethoxy(trifluoromethyl)phosphinate is sourced from PubChem (CID 165033649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).