ethyl 2-hydroxypropanoate;2-fluoroacetic acid

C7H13FO5 — CID 174849871

IUPACethyl 2-hydroxypropanoate;2-fluoroacetic acid
SMILESCCOC(=O)C(C)O.O=C(O)CF
InChIInChI=1S/C5H10O3.C2H3FO2/c1-3-8-5(7)4(2)6;3-1-2(4)5/h4,6H,3H2,1-2H3;1H2,(H,4,5)
InChIKeyNHYPVNRFKKGHQZ-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.03
Rot. Bonds3

About ethyl 2-hydroxypropanoate;2-fluoroacetic acid

ethyl 2-hydroxypropanoate;2-fluoroacetic acid (PubChem CID 174849871) has the molecular formula C7H13FO5 and a molecular weight of 196.17 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;2-fluoroacetic acid.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;2-fluoroacetic acid
PubChem CID174849871
Molecular FormulaC7H13FO5
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Nameethyl 2-hydroxypropanoate;2-fluoroacetic acid
SMILESCCOC(=O)C(C)O.O=C(O)CF
InChIInChI=1S/C5H10O3.C2H3FO2/c1-3-8-5(7)4(2)6;3-1-2(4)5/h4,6H,3H2,1-2H3;1H2,(H,4,5)
InChIKeyNHYPVNRFKKGHQZ-UHFFFAOYSA-N
XLogP-0.03
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
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azane;ethyl 2-hydroxypropanoate;phenylmercury
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bis(butan-1-olate);bis(ethyl 2-hydroxypropanoate);zirconium(2+)
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diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
CID 89266944
acetic acid;2-hydroxyacetic acid;propyl 2-hydroxypropanoate
CID 175389554
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
ethoxymethyl 2-hydroxypropanoate
CID 87466299

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;2-fluoroacetic acid?
The IUPAC name of ethyl 2-hydroxypropanoate;2-fluoroacetic acid (CID 174849871) is ethyl 2-hydroxypropanoate;2-fluoroacetic acid.
What is the SMILES notation for ethyl 2-hydroxypropanoate;2-fluoroacetic acid?
The canonical SMILES for ethyl 2-hydroxypropanoate;2-fluoroacetic acid is CCOC(=O)C(C)O.O=C(O)CF.
What is the InChIKey of ethyl 2-hydroxypropanoate;2-fluoroacetic acid?
The InChIKey is NHYPVNRFKKGHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H3FO2/c1-3-8-5(7)4(2)6;3-1-2(4)5/h4,6H,3H2,1-2H3;1H2,(H,4,5).
What are the key properties of ethyl 2-hydroxypropanoate;2-fluoroacetic acid?
ethyl 2-hydroxypropanoate;2-fluoroacetic acid has a molecular weight of 196.17 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;2-fluoroacetic acid is sourced from PubChem (CID 174849871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).