2-fluorocyclopropane-1-carboxylic acid

C4H5FO2 — CID 10125050

IUPAC2-fluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1F
InChIInChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyHZQKMZGKYVDMCT-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.43
Rot. Bonds1

About 2-fluorocyclopropane-1-carboxylic acid

2-fluorocyclopropane-1-carboxylic acid (PubChem CID 10125050) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is 2-fluorocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-fluorocyclopropane-1-carboxylic acid
PubChem CID10125050
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Name2-fluorocyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1F
InChIInChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyHZQKMZGKYVDMCT-UHFFFAOYSA-N
XLogP0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclopropane-1-carboxylic acid?
The IUPAC name of 2-fluorocyclopropane-1-carboxylic acid (CID 10125050) is 2-fluorocyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-fluorocyclopropane-1-carboxylic acid?
The canonical SMILES for 2-fluorocyclopropane-1-carboxylic acid is O=C(O)C1CC1F.
What is the InChIKey of 2-fluorocyclopropane-1-carboxylic acid?
The InChIKey is HZQKMZGKYVDMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7).
What are the key properties of 2-fluorocyclopropane-1-carboxylic acid?
2-fluorocyclopropane-1-carboxylic acid has a molecular weight of 104.08 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclopropane-1-carboxylic acid is sourced from PubChem (CID 10125050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).