2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

C11H9FN4O2 — CID 82366592

IUPAC2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnnn1-c1ccccc1F
InChIInChI=1S/C11H9FN4O2/c12-8-3-1-2-4-9(8)16-10(13-14-15-16)6-5-7(6)11(17)18/h1-4,6-7H,5H2,(H,17,18)
InChIKeyFBGANMIEHCBASB-UHFFFAOYSA-N
MW248.22 g/mol
LogP0.99
Rot. Bonds3

About 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid

2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366592) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366592
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Name2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnnn1-c1ccccc1F
InChIInChI=1S/C11H9FN4O2/c12-8-3-1-2-4-9(8)16-10(13-14-15-16)6-5-7(6)11(17)18/h1-4,6-7H,5H2,(H,17,18)
InChIKeyFBGANMIEHCBASB-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366592) is 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nnnn1-c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is FBGANMIEHCBASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c12-8-3-1-2-4-9(8)16-10(13-14-15-16)6-5-7(6)11(17)18/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 248.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).