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

C4H3F3N4O2 — CID 112712964

IUPAC2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1C(F)(F)F
InChIInChI=1S/C4H3F3N4O2/c5-4(6,7)11-2(1-3(12)13)8-9-10-11/h1H2,(H,12,13)
InChIKeyNECWSFFNRLRYOW-UHFFFAOYSA-N
MW196.09 g/mol
LogP-0.22
Rot. Bonds2

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

2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid (PubChem CID 112712964) has the molecular formula C4H3F3N4O2 and a molecular weight of 196.09 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid
PubChem CID112712964
Molecular FormulaC4H3F3N4O2
Molecular Weight196.09 g/mol
Exact Mass196.02
IUPAC Name2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid
SMILESO=C(O)Cc1nnnn1C(F)(F)F
InChIInChI=1S/C4H3F3N4O2/c5-4(6,7)11-2(1-3(12)13)8-9-10-11/h1H2,(H,12,13)
InChIKeyNECWSFFNRLRYOW-UHFFFAOYSA-N
XLogP-0.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-tert-butyltetrazol-5-yl)acetic acid
CID 83876391
2-[4-(trifluoromethyl)-1,2,4-triazol-3-yl]acetic acid
CID 112712880
2-(1-nonyltetrazol-5-yl)acetic acid
CID 162532459
2-ethyl-2-(5-ethyltetrazol-1-yl)butanoic acid
CID 79809215
2-(1-benzhydryltetrazol-5-yl)acetic acid
CID 84758807
2-(5-bromo-3-methyltriazol-4-yl)acetic acid
CID 84787238
3-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
CID 84681639
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
CID 82228275
2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
CID 84758809
3-methyl-4-[5-(2,2,2-trifluoroethyl)tetrazol-1-yl]butanoic acid
CID 81072066
2-phenyl-N-[(1-trityltetrazol-5-yl)methyl]acetamide
CID 125454023
2-[1-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]acetic acid
CID 84758764

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid?
The IUPAC name of 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid (CID 112712964) is 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid?
The canonical SMILES for 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid is O=C(O)Cc1nnnn1C(F)(F)F.
What is the InChIKey of 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid?
The InChIKey is NECWSFFNRLRYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N4O2/c5-4(6,7)11-2(1-3(12)13)8-9-10-11/h1H2,(H,12,13).
What are the key properties of 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid?
2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid has a molecular weight of 196.09 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)tetrazol-5-yl]acetic acid is sourced from PubChem (CID 112712964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).