azane;2-fluorobut-3-enoic acid

C4H8FNO2 — CID 173159919

IUPACazane;2-fluorobut-3-enoic acid
SMILESC=CC(F)C(=O)O.N
InChIInChI=1S/C4H5FO2.H3N/c1-2-3(5)4(6)7;/h2-3H,1H2,(H,6,7);1H3
InChIKeyWRUXYRYLCKUHRM-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.76
Rot. Bonds2

About azane;2-fluorobut-3-enoic acid

azane;2-fluorobut-3-enoic acid (PubChem CID 173159919) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is azane;2-fluorobut-3-enoic acid.

Molecular Properties

Compound Nameazane;2-fluorobut-3-enoic acid
PubChem CID173159919
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Nameazane;2-fluorobut-3-enoic acid
SMILESC=CC(F)C(=O)O.N
InChIInChI=1S/C4H5FO2.H3N/c1-2-3(5)4(6)7;/h2-3H,1H2,(H,6,7);1H3
InChIKeyWRUXYRYLCKUHRM-UHFFFAOYSA-N
XLogP0.76
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoroacetic acid;gallane
CID 173230413
copper;2,2-difluoroacetic acid
CID 88507984
2-(trifluoromethyl)but-3-enoic acid
CID 87955946
(2R,3S)-3-tert-butyl-2-fluoropent-4-enoic acid
CID 102124540
(2R,3R)-3-tert-butyl-2-fluoropent-4-enoic acid
CID 102124542
2-(1-carboxyprop-2-enylamino)but-3-enoic acid
CID 66821518
2-formylbut-3-enoic acid
CID 87992568
1-carboxyprop-2-enylazanium chloride
CID 87996071
azane;prop-2-enoic acid
CID 173158019
3-fluoro-2,2-dimethylpent-4-enoic acid
CID 55302929
2-[(2R)-but-3-en-2-yl]propanedioic acid
CID 87149049
bis(1-fluoroprop-2-enyl) oxalate
CID 174444690

Frequently Asked Questions

What is the IUPAC name of azane;2-fluorobut-3-enoic acid?
The IUPAC name of azane;2-fluorobut-3-enoic acid (CID 173159919) is azane;2-fluorobut-3-enoic acid.
What is the SMILES notation for azane;2-fluorobut-3-enoic acid?
The canonical SMILES for azane;2-fluorobut-3-enoic acid is C=CC(F)C(=O)O.N.
What is the InChIKey of azane;2-fluorobut-3-enoic acid?
The InChIKey is WRUXYRYLCKUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2.H3N/c1-2-3(5)4(6)7;/h2-3H,1H2,(H,6,7);1H3.
What are the key properties of azane;2-fluorobut-3-enoic acid?
azane;2-fluorobut-3-enoic acid has a molecular weight of 121.11 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-fluorobut-3-enoic acid is sourced from PubChem (CID 173159919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).