2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid

C7H8FNO3 — CID 88636968

IUPAC2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid
SMILESC=CC(F)NC(=O)C(=C)C(=O)O
InChIInChI=1S/C7H8FNO3/c1-3-5(8)9-6(10)4(2)7(11)12/h3,5H,1-2H2,(H,9,10)(H,11,12)
InChIKeyHGIQBCWRSCUIRX-UHFFFAOYSA-N
MW173.14 g/mol
LogP0.22
Rot. Bonds4

About 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid

2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid (PubChem CID 88636968) has the molecular formula C7H8FNO3 and a molecular weight of 173.14 g/mol. Its IUPAC name is 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid
PubChem CID88636968
Molecular FormulaC7H8FNO3
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid
SMILESC=CC(F)NC(=O)C(=C)C(=O)O
InChIInChI=1S/C7H8FNO3/c1-3-5(8)9-6(10)4(2)7(11)12/h3,5H,1-2H2,(H,9,10)(H,11,12)
InChIKeyHGIQBCWRSCUIRX-UHFFFAOYSA-N
XLogP0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-Carboxy-N-isopropylacrylamide
CID 53784208
2-[Fluoro(prop-2-enyl)carbamoyl]prop-2-enoic acid
CID 88636966
2-[[(2,2,2-Trifluoroacetyl)amino]methyl]prop-2-enoic acid
CID 154397954
2-(3-Fluoroprop-2-enylcarbamoyl)prop-2-enoic acid
CID 173399270
2-(Ethylcarbamoyl)prop-2-enoic acid
CID 17885957
2-(Acetamidomethyl)prop-2-enoic acid
CID 18513114
2-(Butylcarbamoyl)prop-2-enoic acid
CID 21079856
2-Methyl-3-oxo-3-(prop-2-enylamino)propanoic acid
CID 22450830
3-Oxo-3-(prop-2-enylamino)propanoic acid
CID 62230233
5-Oxo-1,2-dihydropyrrole-4-carboxylic acid
CID 69893547
2-(Propylcarbamoyl)prop-2-enoic acid
CID 87098973
3-Amino-2-(prop-2-enylcarbamoyl)prop-2-enoic acid
CID 87113706

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid?
The IUPAC name of 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid (CID 88636968) is 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid.
What is the SMILES notation for 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid?
The canonical SMILES for 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid is C=CC(F)NC(=O)C(=C)C(=O)O.
What is the InChIKey of 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid?
The InChIKey is HGIQBCWRSCUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3/c1-3-5(8)9-6(10)4(2)7(11)12/h3,5H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid?
2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid has a molecular weight of 173.14 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroprop-2-enylcarbamoyl)prop-2-enoic acid is sourced from PubChem (CID 88636968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).