5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole

C11H12ClFN4 — CID 143805437

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H12ClFN4/c1-7(2)17-15-11(14-16-17)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3
InChIKeyGBOXCHQWOCWVLQ-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.64
Rot. Bonds3

About 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole

5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole (PubChem CID 143805437) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
PubChem CID143805437
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
SMILESCC(C)n1nnc(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C11H12ClFN4/c1-7(2)17-15-11(14-16-17)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3
InChIKeyGBOXCHQWOCWVLQ-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole 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

3-(bromomethyl)-5-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115400118
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
CID 1251687
(1S)-1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104880512
3-[(2-chloro-6-fluorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394879
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 63024195
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-[1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444206
5-[(2-chloro-6-fluorophenyl)methyl]-2-ethyl-4H-1,2,4-triazol-3-one
CID 171482338
3-chloro-6-[(2-chloro-6-fluorophenyl)methyl]pyridazine
CID 6404599
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
4-[5-[(2-chloro-6-fluorophenyl)methyl]tetrazol-1-yl]-3-methylbutanoic acid
CID 81068088

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole (CID 143805437) is 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole is CC(C)n1nnc(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole?
The InChIKey is GBOXCHQWOCWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-7(2)17-15-11(14-16-17)6-8-9(12)4-3-5-10(8)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole?
5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole has a molecular weight of 254.70 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole is sourced from PubChem (CID 143805437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).