(Z)-3-amino-2-fluoroprop-2-enoic acid

C3H4FNO2 — CID 87635447

IUPAC(Z)-3-amino-2-fluoroprop-2-enoic acid
SMILESN/C=C(\F)C(=O)O
InChIInChI=1S/C3H4FNO2/c4-2(1-5)3(6)7/h1H,5H2,(H,6,7)/b2-1-
InChIKeyUJCYIQDCUVFMQJ-UPHRSURJSA-N
MW105.07 g/mol
LogP-0.16
Rot. Bonds1

About (Z)-3-amino-2-fluoroprop-2-enoic acid

(Z)-3-amino-2-fluoroprop-2-enoic acid (PubChem CID 87635447) has the molecular formula C3H4FNO2 and a molecular weight of 105.07 g/mol. Its IUPAC name is (Z)-3-amino-2-fluoroprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-2-fluoroprop-2-enoic acid
PubChem CID87635447
Molecular FormulaC3H4FNO2
Molecular Weight105.07 g/mol
Exact Mass105.02
IUPAC Name(Z)-3-amino-2-fluoroprop-2-enoic acid
SMILESN/C=C(\F)C(=O)O
InChIInChI=1S/C3H4FNO2/c4-2(1-5)3(6)7/h1H,5H2,(H,6,7)/b2-1-
InChIKeyUJCYIQDCUVFMQJ-UPHRSURJSA-N
XLogP-0.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.07
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-fluoroprop-2-enoic acid?
The IUPAC name of (Z)-3-amino-2-fluoroprop-2-enoic acid (CID 87635447) is (Z)-3-amino-2-fluoroprop-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-2-fluoroprop-2-enoic acid?
The canonical SMILES for (Z)-3-amino-2-fluoroprop-2-enoic acid is N/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-3-amino-2-fluoroprop-2-enoic acid?
The InChIKey is UJCYIQDCUVFMQJ-UPHRSURJSA-N. The full InChI is InChI=1S/C3H4FNO2/c4-2(1-5)3(6)7/h1H,5H2,(H,6,7)/b2-1-.
What are the key properties of (Z)-3-amino-2-fluoroprop-2-enoic acid?
(Z)-3-amino-2-fluoroprop-2-enoic acid has a molecular weight of 105.07 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-fluoroprop-2-enoic acid is sourced from PubChem (CID 87635447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).