2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid

C7H9FO2 — CID 163617580

IUPAC2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid
SMILESC=CC1(F)CC1(C)C(=O)O
InChIInChI=1S/C7H9FO2/c1-3-7(8)4-6(7,2)5(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyHLGYPJMQKUFTFC-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.38
Rot. Bonds2

About 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid

2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid (PubChem CID 163617580) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid
PubChem CID163617580
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid
SMILESC=CC1(F)CC1(C)C(=O)O
InChIInChI=1S/C7H9FO2/c1-3-7(8)4-6(7,2)5(9)10/h3H,1,4H2,2H3,(H,9,10)
InChIKeyHLGYPJMQKUFTFC-UHFFFAOYSA-N
XLogP1.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid (CID 163617580) is 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid is C=CC1(F)CC1(C)C(=O)O.
What is the InChIKey of 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is HLGYPJMQKUFTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-3-7(8)4-6(7,2)5(9)10/h3H,1,4H2,2H3,(H,9,10).
What are the key properties of 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 144.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-fluoro-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 163617580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).