1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid

C6H8FNO2 — CID 123647591

IUPAC1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid
SMILESC=CC1(F)CC1(N)C(=O)O
InChIInChI=1S/C6H8FNO2/c1-2-5(7)3-6(5,8)4(9)10/h2H,1,3,8H2,(H,9,10)
InChIKeyMYNWOYGCHAOWAZ-UHFFFAOYSA-N
MW145.13 g/mol
LogP0.07
Rot. Bonds2

About 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid

1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid (PubChem CID 123647591) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid
PubChem CID123647591
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid
SMILESC=CC1(F)CC1(N)C(=O)O
InChIInChI=1S/C6H8FNO2/c1-2-5(7)3-6(5,8)4(9)10/h2H,1,3,8H2,(H,9,10)
InChIKeyMYNWOYGCHAOWAZ-UHFFFAOYSA-N
XLogP0.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid (CID 123647591) is 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid is C=CC1(F)CC1(N)C(=O)O.
What is the InChIKey of 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid?
The InChIKey is MYNWOYGCHAOWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2/c1-2-5(7)3-6(5,8)4(9)10/h2H,1,3,8H2,(H,9,10).
What are the key properties of 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid?
1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid has a molecular weight of 145.13 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-ethenyl-2-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 123647591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).