4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid

C12H12ClFN4O3 — CID 103160390

IUPAC4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H12ClFN4O3/c1-21-8(5-11(19)20)6-18-12(15-16-17-18)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,19,20)
InChIKeyRYQLGTMWVORSIB-UHFFFAOYSA-N
MW314.70 g/mol
LogP1.62
Rot. Bonds6

About 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid

4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid (PubChem CID 103160390) has the molecular formula C12H12ClFN4O3 and a molecular weight of 314.70 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
PubChem CID103160390
Molecular FormulaC12H12ClFN4O3
Molecular Weight314.70 g/mol
Exact Mass314.06
IUPAC Name4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
SMILESCOC(CC(=O)O)Cn1nnnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H12ClFN4O3/c1-21-8(5-11(19)20)6-18-12(15-16-17-18)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,19,20)
InChIKeyRYQLGTMWVORSIB-UHFFFAOYSA-N
XLogP1.62
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.70
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(3,5-dichlorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160413
3-methoxy-4-[5-(4-methylsulfanylphenyl)tetrazol-1-yl]butanoic acid
CID 103160384
4-[5-(4-ethylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160348
4-[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160437
4-[5-(furan-3-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160591
4-[5-(2-chloro-3-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160482
3-methoxy-4-[5-(2-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
CID 103160464
4-[5-(5-bromo-2-methylphenyl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160599
3-methoxy-4-[5-(2-methylfuran-3-yl)tetrazol-1-yl]butanoic acid
CID 103160595
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160538
4-[5-(4,5-dimethylthiophen-2-yl)tetrazol-1-yl]-3-methoxybutanoic acid
CID 103160426
4-[5-(4-bromo-3-fluorophenyl)tetrazol-1-yl]-3-methylbutanoic acid
CID 81071526

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid (CID 103160390) is 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The canonical SMILES for 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid is COC(CC(=O)O)Cn1nnnc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
The InChIKey is RYQLGTMWVORSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O3/c1-21-8(5-11(19)20)6-18-12(15-16-17-18)7-2-3-10(14)9(13)4-7/h2-4,8H,5-6H2,1H3,(H,19,20).
What are the key properties of 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid?
4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid has a molecular weight of 314.70 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-fluorophenyl)tetrazol-1-yl]-3-methoxybutanoic acid is sourced from PubChem (CID 103160390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).