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

C12H9F3N4O2 — CID 82366630

IUPAC2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)8-3-1-2-4-9(8)19-10(16-17-18-19)6-5-7(6)11(20)21/h1-4,6-7H,5H2,(H,20,21)
InChIKeyFOYZTGHFCJJMLS-UHFFFAOYSA-N
MW298.22 g/mol
LogP1.87
Rot. Bonds3

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

2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 82366630) has the molecular formula C12H9F3N4O2 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
PubChem CID82366630
Molecular FormulaC12H9F3N4O2
Molecular Weight298.22 g/mol
Exact Mass298.07
IUPAC Name2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nnnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)8-3-1-2-4-9(8)19-10(16-17-18-19)6-5-7(6)11(20)21/h1-4,6-7H,5H2,(H,20,21)
InChIKeyFOYZTGHFCJJMLS-UHFFFAOYSA-N
XLogP1.87
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid (CID 82366630) is 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nnnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid?
The InChIKey is FOYZTGHFCJJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2/c13-12(14,15)8-3-1-2-4-9(8)19-10(16-17-18-19)6-5-7(6)11(20)21/h1-4,6-7H,5H2,(H,20,21).
What are the key properties of 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid?
2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 298.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82366630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).