2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid

C10H7F3N4O2 — CID 82227789

IUPAC2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)6-2-1-3-7(4-6)17-8(5-9(18)19)14-15-16-17/h1-4H,5H2,(H,18,19)
InChIKeyMFJQHJSLIRRDMK-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.31
Rot. Bonds3

About 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid

2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid (PubChem CID 82227789) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid
PubChem CID82227789
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)6-2-1-3-7(4-6)17-8(5-9(18)19)14-15-16-17/h1-4H,5H2,(H,18,19)
InChIKeyMFJQHJSLIRRDMK-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid (CID 82227789) is 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid is O=C(O)Cc1nnnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid?
The InChIKey is MFJQHJSLIRRDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)6-2-1-3-7(4-6)17-8(5-9(18)19)14-15-16-17/h1-4H,5H2,(H,18,19).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid?
2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid has a molecular weight of 272.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]acetic acid is sourced from PubChem (CID 82227789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).