3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid

C11H9F3N4O2 — CID 119089174

IUPAC3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
SMILESO=C(O)CCn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)8-3-1-7(2-4-8)10-15-17-18(16-10)6-5-9(19)20/h1-4H,5-6H2,(H,19,20)
InChIKeyAKRVPPXWVBEDEV-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.83
Rot. Bonds4

About 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid

3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid (PubChem CID 119089174) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
PubChem CID119089174
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
SMILESO=C(O)CCn1nnc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)8-3-1-7(2-4-8)10-15-17-18(16-10)6-5-9(19)20/h1-4H,5-6H2,(H,19,20)
InChIKeyAKRVPPXWVBEDEV-UHFFFAOYSA-N
XLogP1.83
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]methanol
CID 604211
3-[5-(4-methoxyphenyl)tetrazol-2-yl]propanoic acid
CID 860833
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 552573
7-[5-(4-bromophenyl)tetrazol-2-yl]-1,1,1-trifluoroheptan-2-one
CID 58423652
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
4-[5-(4-pentoxyphenyl)tetrazol-2-yl]butanoic acid
CID 135209195
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
3-[5-[3-[4-[2-chloro-5-(trifluoromethyl)benzoyl]piperidin-1-yl]-1,2-oxazol-5-yl]tetrazol-2-yl]propanoic acid
CID 91574152
methyl 3-[5-(4-ethylphenyl)tetrazol-2-yl]propanoate
CID 647427
ethyl 3-[5-(4-formylphenyl)tetrazol-2-yl]propanoate
CID 23559158
2-(5-thiophen-3-yltetrazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9128049

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid (CID 119089174) is 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid is O=C(O)CCn1nnc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid?
The InChIKey is AKRVPPXWVBEDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)8-3-1-7(2-4-8)10-15-17-18(16-10)6-5-9(19)20/h1-4H,5-6H2,(H,19,20).
What are the key properties of 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid?
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid has a molecular weight of 286.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid is sourced from PubChem (CID 119089174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).