(Z)-2-fluoro-3-hydroxyprop-2-enoic acid

C3H3FO3 — CID 87646358

IUPAC(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(F)=C/O
InChIInChI=1S/C3H3FO3/c4-2(1-5)3(6)7/h1,5H,(H,6,7)/b2-1-
InChIKeyQYKWSOGRVXUTKN-UPHRSURJSA-N
MW106.05 g/mol
LogP0.44
Rot. Bonds1

About (Z)-2-fluoro-3-hydroxyprop-2-enoic acid

(Z)-2-fluoro-3-hydroxyprop-2-enoic acid (PubChem CID 87646358) has the molecular formula C3H3FO3 and a molecular weight of 106.05 g/mol. Its IUPAC name is (Z)-2-fluoro-3-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
PubChem CID87646358
Molecular FormulaC3H3FO3
Molecular Weight106.05 g/mol
Exact Mass106.01
IUPAC Name(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(F)=C/O
InChIInChI=1S/C3H3FO3/c4-2(1-5)3(6)7/h1,5H,(H,6,7)/b2-1-
InChIKeyQYKWSOGRVXUTKN-UPHRSURJSA-N
XLogP0.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.05
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoropent-2-enedioic acid
CID 90022975
(Z)-4-bromo-2-fluorobut-2-enoic acid
CID 19866003
3-cyano-2-fluoroprop-2-enoic acid
CID 154428442
(E)-2-fluoro-4,4-dimethylpent-2-enoic acid
CID 19373367
(E)-2-fluoro-3-formyloxyprop-2-enoic acid
CID 155767663
carbonofluoridic acid
CID 118456839
3-(carbamoylamino)-2-fluoroprop-2-enoic acid
CID 54163239
(Z)-2-fluoro-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoic acid
CID 169087970
(Z)-2,4,4,5,5-pentafluorohex-2-enoic acid
CID 87698039
[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
CID 59498641
(E)-2-chloro-3-hydroxyprop-2-enoic acid
CID 55302917
(Z)-2-fluorohept-2-enoic acid
CID 14691011

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-hydroxyprop-2-enoic acid (CID 87646358) is (Z)-2-fluoro-3-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-hydroxyprop-2-enoic acid is O=C(O)/C(F)=C/O.
What is the InChIKey of (Z)-2-fluoro-3-hydroxyprop-2-enoic acid?
The InChIKey is QYKWSOGRVXUTKN-UPHRSURJSA-N. The full InChI is InChI=1S/C3H3FO3/c4-2(1-5)3(6)7/h1,5H,(H,6,7)/b2-1-.
What are the key properties of (Z)-2-fluoro-3-hydroxyprop-2-enoic acid?
(Z)-2-fluoro-3-hydroxyprop-2-enoic acid has a molecular weight of 106.05 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-hydroxyprop-2-enoic acid is sourced from PubChem (CID 87646358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).