2-fluoroprop-2-enoic acid;hydrochloride

C3H4ClFO2 — CID 87142297

IUPAC2-fluoroprop-2-enoic acid;hydrochloride
SMILESC=C(F)C(=O)O.Cl
InChIInChI=1S/C3H3FO2.ClH/c1-2(4)3(5)6;/h1H2,(H,5,6);1H
InChIKeyCNWNLTPFKPDUOP-UHFFFAOYSA-N
MW126.51 g/mol
LogP0.98
Rot. Bonds1

About 2-fluoroprop-2-enoic acid;hydrochloride

2-fluoroprop-2-enoic acid;hydrochloride (PubChem CID 87142297) has the molecular formula C3H4ClFO2 and a molecular weight of 126.51 g/mol. Its IUPAC name is 2-fluoroprop-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name2-fluoroprop-2-enoic acid;hydrochloride
PubChem CID87142297
Molecular FormulaC3H4ClFO2
Molecular Weight126.51 g/mol
Exact Mass125.99
IUPAC Name2-fluoroprop-2-enoic acid;hydrochloride
SMILESC=C(F)C(=O)O.Cl
InChIInChI=1S/C3H3FO2.ClH/c1-2(4)3(5)6;/h1H2,(H,5,6);1H
InChIKeyCNWNLTPFKPDUOP-UHFFFAOYSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.51
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(2,2-bis(hydroxymethyl)propane-1,3-diol);hexakis(2-fluoroprop-2-enoic acid)
CID 173295517
2,2-bis(hydroxymethyl)propane-1,3-diol;2-fluoroprop-2-enoic acid
CID 88836641
3-fluorobut-3-en-2-one
CID 158766969
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;hydrochloride
CID 173369286
carbonofluoridic acid
CID 118456839
azane;2-hydroxyprop-2-enoic acid
CID 158386305
4-fluoro-3-hydroxy-2-oxopent-4-enoic acid
CID 123209234
carbonic acid;2,3-difluoroprop-1-ene
CID 135262079
methylalumane;tris(2-methylprop-2-enoic acid);hydrochloride
CID 173193272
oxalic acid;zirconium;hydrate
CID 91886498

Frequently Asked Questions

What is the IUPAC name of 2-fluoroprop-2-enoic acid;hydrochloride?
The IUPAC name of 2-fluoroprop-2-enoic acid;hydrochloride (CID 87142297) is 2-fluoroprop-2-enoic acid;hydrochloride.
What is the SMILES notation for 2-fluoroprop-2-enoic acid;hydrochloride?
The canonical SMILES for 2-fluoroprop-2-enoic acid;hydrochloride is C=C(F)C(=O)O.Cl.
What is the InChIKey of 2-fluoroprop-2-enoic acid;hydrochloride?
The InChIKey is CNWNLTPFKPDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO2.ClH/c1-2(4)3(5)6;/h1H2,(H,5,6);1H.
What are the key properties of 2-fluoroprop-2-enoic acid;hydrochloride?
2-fluoroprop-2-enoic acid;hydrochloride has a molecular weight of 126.51 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroprop-2-enoic acid;hydrochloride is sourced from PubChem (CID 87142297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).