difluorophosphinimyl 3-fluoro-3-oxopropanoate

C3H3F3NO3P — CID 175084013

IUPACdifluorophosphinimyl 3-fluoro-3-oxopropanoate
SMILES[H]N=P(F)(F)OC(=O)CC(=O)F
InChIInChI=1S/C3H3F3NO3P/c4-2(8)1-3(9)10-11(5,6)7/h7H,1H2
InChIKeyOCDSMXSLIDJSBZ-UHFFFAOYSA-N
MW189.03 g/mol
LogP1.88
Rot. Bonds3

About difluorophosphinimyl 3-fluoro-3-oxopropanoate

difluorophosphinimyl 3-fluoro-3-oxopropanoate (PubChem CID 175084013) has the molecular formula C3H3F3NO3P and a molecular weight of 189.03 g/mol. Its IUPAC name is difluorophosphinimyl 3-fluoro-3-oxopropanoate.

Molecular Properties

Compound Namedifluorophosphinimyl 3-fluoro-3-oxopropanoate
PubChem CID175084013
Molecular FormulaC3H3F3NO3P
Molecular Weight189.03 g/mol
Exact Mass188.98
IUPAC Namedifluorophosphinimyl 3-fluoro-3-oxopropanoate
SMILES[H]N=P(F)(F)OC(=O)CC(=O)F
InChIInChI=1S/C3H3F3NO3P/c4-2(8)1-3(9)10-11(5,6)7/h7H,1H2
InChIKeyOCDSMXSLIDJSBZ-UHFFFAOYSA-N
XLogP1.88
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.03
LogP ≤ 51.88
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

lithium;difluorophosphinimyl 3-fluoro-3-oxopropanoate;hydride
CID 175084012
1,1,2,2,3,3,3-heptafluoropropyl 3-fluoro-3-oxopropanoate
CID 173484159
stibanyl 2-fluoro-2-oxoacetate
CID 175212180
bromozinc(1+);methyl propanoate
CID 59343224
bis[(2-fluoroacetyl)oxy]boranyl 2-fluoroprop-2-enoate
CID 163449787
methylamino carbonofluoridate
CID 143060000
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
(4-fluoro-4-oxobutan-2-yl) 3-fluorobutanoate
CID 15914917
4-fluoro-5-methoxy-3-methyl-5-oxopent-3-enoic acid
CID 90022947
dimethyl 2-(difluoromethylidene)propanedioate
CID 23264341
N-fluorocarbamoyl fluoride
CID 86244682
4-carbonofluoridoyloxybut-2-ynyl carbonofluoridate
CID 126736848

Frequently Asked Questions

What is the IUPAC name of difluorophosphinimyl 3-fluoro-3-oxopropanoate?
The IUPAC name of difluorophosphinimyl 3-fluoro-3-oxopropanoate (CID 175084013) is difluorophosphinimyl 3-fluoro-3-oxopropanoate.
What is the SMILES notation for difluorophosphinimyl 3-fluoro-3-oxopropanoate?
The canonical SMILES for difluorophosphinimyl 3-fluoro-3-oxopropanoate is [H]N=P(F)(F)OC(=O)CC(=O)F.
What is the InChIKey of difluorophosphinimyl 3-fluoro-3-oxopropanoate?
The InChIKey is OCDSMXSLIDJSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3NO3P/c4-2(8)1-3(9)10-11(5,6)7/h7H,1H2.
What are the key properties of difluorophosphinimyl 3-fluoro-3-oxopropanoate?
difluorophosphinimyl 3-fluoro-3-oxopropanoate has a molecular weight of 189.03 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphinimyl 3-fluoro-3-oxopropanoate is sourced from PubChem (CID 175084013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).