ethyl 2-fluoroacetate;propanoic acid

C7H13FO4 — CID 175746164

IUPACethyl 2-fluoroacetate;propanoic acid
SMILESCCC(=O)O.CCOC(=O)CF
InChIInChI=1S/C4H7FO2.C3H6O2/c1-2-7-4(6)3-5;1-2-3(4)5/h2-3H2,1H3;2H2,1H3,(H,4,5)
InChIKeyNUKKFPDBYPDFPC-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.00
Rot. Bonds3

About ethyl 2-fluoroacetate;propanoic acid

ethyl 2-fluoroacetate;propanoic acid (PubChem CID 175746164) has the molecular formula C7H13FO4 and a molecular weight of 180.17 g/mol. Its IUPAC name is ethyl 2-fluoroacetate;propanoic acid.

Molecular Properties

Compound Nameethyl 2-fluoroacetate;propanoic acid
PubChem CID175746164
Molecular FormulaC7H13FO4
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Nameethyl 2-fluoroacetate;propanoic acid
SMILESCCC(=O)O.CCOC(=O)CF
InChIInChI=1S/C4H7FO2.C3H6O2/c1-2-7-4(6)3-5;1-2-3(4)5/h2-3H2,1H3;2H2,1H3,(H,4,5)
InChIKeyNUKKFPDBYPDFPC-UHFFFAOYSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoroacetic acid;ethyl 2-fluoroacetate
CID 174837153
2,2-difluorobutanoic acid;ethyl 2-fluoroacetate
CID 175803499
oxidanium;ethyloxidanium;ethyl propanoate;propanoic acid
CID 161086406
ethoxycarbonyl 2-fluoroacetate;palladium
CID 174611584
ethyl carbamate;propanoic acid
CID 158069728
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;methane
CID 161360642
zinc 3-ethoxy-3-oxopropanoic acid
CID 24997498
azane;3-ethoxy-3-oxopropanoic acid
CID 173322885
3-ethoxy-3-oxopropanoic acid chloride
CID 21107838
propyl 2-fluoroacetate
CID 24957
2-ethoxyethyl 2-fluoroacetate
CID 88537895

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoroacetate;propanoic acid?
The IUPAC name of ethyl 2-fluoroacetate;propanoic acid (CID 175746164) is ethyl 2-fluoroacetate;propanoic acid.
What is the SMILES notation for ethyl 2-fluoroacetate;propanoic acid?
The canonical SMILES for ethyl 2-fluoroacetate;propanoic acid is CCC(=O)O.CCOC(=O)CF.
What is the InChIKey of ethyl 2-fluoroacetate;propanoic acid?
The InChIKey is NUKKFPDBYPDFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2.C3H6O2/c1-2-7-4(6)3-5;1-2-3(4)5/h2-3H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of ethyl 2-fluoroacetate;propanoic acid?
ethyl 2-fluoroacetate;propanoic acid has a molecular weight of 180.17 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoroacetate;propanoic acid is sourced from PubChem (CID 175746164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).