2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid

C16H12F3N5O2 — CID 135372574

IUPAC2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)10-5-7-11(8-6-10)20-13-4-2-1-3-12(13)15-21-23-24(22-15)9-14(25)26/h1-8,20H,9H2,(H,25,26)
InChIKeyVIDDDGHJOLDZCL-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.19
Rot. Bonds5

About 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid

2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid (PubChem CID 135372574) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid
PubChem CID135372574
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid
SMILESO=C(O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)10-5-7-11(8-6-10)20-13-4-2-1-3-12(13)15-21-23-24(22-15)9-14(25)26/h1-8,20H,9H2,(H,25,26)
InChIKeyVIDDDGHJOLDZCL-UHFFFAOYSA-N
XLogP3.19
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-{[3-chloro-4-(trifluoromethyl)phenyl]amino}phenyl)-2H-1,2,3,4-tetrazol-2-yl]ethan-1-ol
CID 135372750
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2436905
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
2-[5-[5-Chloro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372012

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid (CID 135372574) is 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid is O=C(O)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is VIDDDGHJOLDZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)10-5-7-11(8-6-10)20-13-4-2-1-3-12(13)15-21-23-24(22-15)9-14(25)26/h1-8,20H,9H2,(H,25,26).
What are the key properties of 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid?
2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 363.30 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 135372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).