1-fluorocyclobutane-1-carboxylic acid

C5H7FO2 — CID 21187532

IUPAC1-fluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1(F)CCC1
InChIInChI=1S/C5H7FO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8)
InChIKeyHNIHOFVDKWEICB-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.96
Rot. Bonds1

About 1-fluorocyclobutane-1-carboxylic acid

1-fluorocyclobutane-1-carboxylic acid (PubChem CID 21187532) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 1-fluorocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-fluorocyclobutane-1-carboxylic acid
PubChem CID21187532
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name1-fluorocyclobutane-1-carboxylic acid
SMILESO=C(O)C1(F)CCC1
InChIInChI=1S/C5H7FO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8)
InChIKeyHNIHOFVDKWEICB-UHFFFAOYSA-N
XLogP0.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocyclobutane-1-carboxylic acid?
The IUPAC name of 1-fluorocyclobutane-1-carboxylic acid (CID 21187532) is 1-fluorocyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-fluorocyclobutane-1-carboxylic acid?
The canonical SMILES for 1-fluorocyclobutane-1-carboxylic acid is O=C(O)C1(F)CCC1.
What is the InChIKey of 1-fluorocyclobutane-1-carboxylic acid?
The InChIKey is HNIHOFVDKWEICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8).
What are the key properties of 1-fluorocyclobutane-1-carboxylic acid?
1-fluorocyclobutane-1-carboxylic acid has a molecular weight of 118.11 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclobutane-1-carboxylic acid is sourced from PubChem (CID 21187532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).