3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid

C7H9F3N4O3 — CID 103160471

IUPAC3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C(F)(F)F
InChIInChI=1S/C7H9F3N4O3/c1-17-4(2-5(15)16)3-14-6(7(8,9)10)11-12-13-14/h4H,2-3H2,1H3,(H,15,16)
InChIKeyCPHFEAZSRCIGTH-UHFFFAOYSA-N
MW254.17 g/mol
LogP0.18
Rot. Bonds5

About 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid

3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid (PubChem CID 103160471) has the molecular formula C7H9F3N4O3 and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
PubChem CID103160471
Molecular FormulaC7H9F3N4O3
Molecular Weight254.17 g/mol
Exact Mass254.06
IUPAC Name3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1C(F)(F)F
InChIInChI=1S/C7H9F3N4O3/c1-17-4(2-5(15)16)3-14-6(7(8,9)10)11-12-13-14/h4H,2-3H2,1H3,(H,15,16)
InChIKeyCPHFEAZSRCIGTH-UHFFFAOYSA-N
XLogP0.18
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-[5-(2-methoxypropan-2-yl)tetrazol-1-yl]butanoic acid
CID 103160452
3-methoxy-4-[5-(methoxymethyl)tetrazol-1-yl]butanoic acid
CID 103160380
4-(5-cyclopropyltetrazol-1-yl)-3-methoxybutanoic acid
CID 103160438
3-methoxy-4-[5-(4-methylcyclohexyl)tetrazol-1-yl]butanoic acid
CID 103160506
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160538
4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
4-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160437

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid (CID 103160471) is 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid is COC(CC(=O)O)Cn1nnnc1C(F)(F)F.
What is the InChIKey of 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is CPHFEAZSRCIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O3/c1-17-4(2-5(15)16)3-14-6(7(8,9)10)11-12-13-14/h4H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid?
3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 254.17 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[5-(trifluoromethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 103160471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).