lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride

C3H4F3LiNO3P — CID 175084012

IUPAClithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride
SMILES[H-].[H]N=P(F)(F)OC(=O)CC(=O)F.[Li+]
InChIInChI=1S/C3H3F3NO3P.Li.H/c4-2(8)1-3(9)10-11(5,6)7;;/h7H,1H2;;/q;+1;-1
InChIKeyWEPLSRXQQPKPHO-UHFFFAOYSA-N
MW196.98 g/mol
LogP-1.00
Rot. Bonds3

About lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride

lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride (PubChem CID 175084012) has the molecular formula C3H4F3LiNO3P and a molecular weight of 196.98 g/mol. Its IUPAC name is lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride.

Molecular Properties

Compound Namelithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride
PubChem CID175084012
Molecular FormulaC3H4F3LiNO3P
Molecular Weight196.98 g/mol
Exact Mass197.00
IUPAC Namelithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride
SMILES[H-].[H]N=P(F)(F)OC(=O)CC(=O)F.[Li+]
InChIInChI=1S/C3H3F3NO3P.Li.H/c4-2(8)1-3(9)10-11(5,6)7;;/h7H,1H2;;/q;+1;-1
InChIKeyWEPLSRXQQPKPHO-UHFFFAOYSA-N
XLogP-1.00
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.98
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

difluorophosphinimyl 3-fluoro-3-oxopropanoate
CID 175084013
1,1,2,2,3,3,3-heptafluoropropyl 3-fluoro-3-oxopropanoate
CID 173484159
lithium;3-bis[(2-carboxy-2,2-difluoroacetyl)oxy]phosphoryloxy-2,2-difluoro-3-oxopropanoic acid;hydride
CID 174143699
lithium;hexakis(carbonofluoridic acid);hydride
CID 174993364
lithium;hydride;methyl propanoate
CID 174158387
lithium;hydride;methyl fluorosulfonylformate
CID 175482440
stibanyl 2-fluoro-2-oxoacetate
CID 175212180
lithium;1-O-difluorooxyboranyl 3-O-fluoro propanedioate;hydride
CID 175001706
disodium;hydride;(propanoyloxyamino) propanoate
CID 175458235
bromozinc(1+);methyl propanoate
CID 59343224
lithium;fluorophosphonic acid;hydride;vanadium
CID 173022638
bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
CID 163449787

Frequently Asked Questions

What is the IUPAC name of lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride?
The IUPAC name of lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride (CID 175084012) is lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride.
What is the SMILES notation for lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride?
The canonical SMILES for lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride is [H-].[H]N=P(F)(F)OC(=O)CC(=O)F.[Li+].
What is the InChIKey of lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride?
The InChIKey is WEPLSRXQQPKPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3NO3P.Li.H/c4-2(8)1-3(9)10-11(5,6)7;;/h7H,1H2;;/q;+1;-1.
What are the key properties of lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride?
lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride has a molecular weight of 196.98 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride is sourced from PubChem (CID 175084012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).