amino prop-2-enoate;hydrofluoride

C3H6FNO2 — CID 174948745

IUPACamino prop-2-enoate;hydrofluoride
SMILESC=CC(=O)ON.F
InChIInChI=1S/C3H5NO2.FH/c1-2-3(5)6-4;/h2H,1,4H2;1H
InChIKeyZDDMJXQZYGYSQP-UHFFFAOYSA-N
MW107.08 g/mol
LogP-0.26
Rot. Bonds1

About amino prop-2-enoate;hydrofluoride

amino prop-2-enoate;hydrofluoride (PubChem CID 174948745) has the molecular formula C3H6FNO2 and a molecular weight of 107.08 g/mol. Its IUPAC name is amino prop-2-enoate;hydrofluoride.

Molecular Properties

Compound Nameamino prop-2-enoate;hydrofluoride
PubChem CID174948745
Molecular FormulaC3H6FNO2
Molecular Weight107.08 g/mol
Exact Mass107.04
IUPAC Nameamino prop-2-enoate;hydrofluoride
SMILESC=CC(=O)ON.F
InChIInChI=1S/C3H5NO2.FH/c1-2-3(5)6-4;/h2H,1,4H2;1H
InChIKeyZDDMJXQZYGYSQP-UHFFFAOYSA-N
XLogP-0.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.08
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino prop-2-enoate;sulfanylidenecopper
CID 174997703
amino prop-2-enoate;N,N-dimethylmethanamine
CID 174521211
amino prop-2-eneperoxoate
CID 54317531
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
4-O-amino 1-O-prop-2-enyl (Z)-but-2-enedioate
CID 88748858
bis(amino prop-2-enoate);hexyl dihydrogen phosphate
CID 172853475
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
prop-2-enamide;ruthenium
CID 90254548
methane;prop-2-enyl prop-2-enoate
CID 87568259
ethenyl prop-2-enoate;urea
CID 146453811
hydroxymethyl prop-2-enoate;hydrate
CID 88522890

Frequently Asked Questions

What is the IUPAC name of amino prop-2-enoate;hydrofluoride?
The IUPAC name of amino prop-2-enoate;hydrofluoride (CID 174948745) is amino prop-2-enoate;hydrofluoride.
What is the SMILES notation for amino prop-2-enoate;hydrofluoride?
The canonical SMILES for amino prop-2-enoate;hydrofluoride is C=CC(=O)ON.F.
What is the InChIKey of amino prop-2-enoate;hydrofluoride?
The InChIKey is ZDDMJXQZYGYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.FH/c1-2-3(5)6-4;/h2H,1,4H2;1H.
What are the key properties of amino prop-2-enoate;hydrofluoride?
amino prop-2-enoate;hydrofluoride has a molecular weight of 107.08 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino prop-2-enoate;hydrofluoride is sourced from PubChem (CID 174948745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).