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

C14H9F3N4O3 — CID 3022048

IUPAC2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(6-9)10-4-5-11(24-10)13-18-19-20-21(13)7-12(22)23/h1-6H,7H2,(H,22,23)
InChIKeyNTUFPIIVVDBDAK-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.70
Rot. Bonds4

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

2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid (PubChem CID 3022048) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid
PubChem CID3022048
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(6-9)10-4-5-11(24-10)13-18-19-20-21(13)7-12(22)23/h1-6H,7H2,(H,22,23)
InChIKeyNTUFPIIVVDBDAK-UHFFFAOYSA-N
XLogP2.70
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid (CID 3022048) is 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid?
The InChIKey is NTUFPIIVVDBDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3/c15-14(16,17)9-3-1-2-8(6-9)10-4-5-11(24-10)13-18-19-20-21(13)7-12(22)23/h1-6H,7H2,(H,22,23).
What are the key properties of 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid?
2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid has a molecular weight of 338.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]tetrazol-1-yl]acetic acid is sourced from PubChem (CID 3022048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).