1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid

C12H13FO2 — CID 65194237

IUPAC1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cccc(F)c2)CCC1
InChIInChI=1S/C12H13FO2/c13-10-4-1-3-9(7-10)8-12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChIKeyDQVFFAUQMVIMGZ-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.62
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid

1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 65194237) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
PubChem CID65194237
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cccc(F)c2)CCC1
InChIInChI=1S/C12H13FO2/c13-10-4-1-3-9(7-10)8-12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChIKeyDQVFFAUQMVIMGZ-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid (CID 65194237) is 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(Cc2cccc(F)c2)CCC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is DQVFFAUQMVIMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-10-4-1-3-9(7-10)8-12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6,8H2,(H,14,15).
What are the key properties of 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid?
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 65194237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).