1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole

C8H5Cl2FN4 — CID 43134726

IUPAC1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
SMILESFc1ccc(-n2nnnc2CCl)c(Cl)c1
InChIInChI=1S/C8H5Cl2FN4/c9-4-8-12-13-14-15(8)7-2-1-5(11)3-6(7)10/h1-3H,4H2
InChIKeyFQLNLHCGIMJBSB-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole

1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole (PubChem CID 43134726) has the molecular formula C8H5Cl2FN4 and a molecular weight of 247.06 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
PubChem CID43134726
Molecular FormulaC8H5Cl2FN4
Molecular Weight247.06 g/mol
Exact Mass245.99
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole
SMILESFc1ccc(-n2nnnc2CCl)c(Cl)c1
InChIInChI=1S/C8H5Cl2FN4/c9-4-8-12-13-14-15(8)7-2-1-5(11)3-6(7)10/h1-3H,4H2
InChIKeyFQLNLHCGIMJBSB-UHFFFAOYSA-N
XLogP2.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
CID 103480758
5-(chloromethyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]tetrazole
CID 63037555
4-chloro-2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61352440
5-chloro-2-[5-(chloromethyl)tetrazol-1-yl]benzoic acid
CID 11961946
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61352841
2-[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65454889
5-(chloromethyl)-1-(3-fluoro-5-methylphenyl)tetrazole
CID 79049286
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
5-fluoro-2-(5-propyltetrazol-1-yl)aniline
CID 62081162
1-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736655
[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
CID 62761189

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole (CID 43134726) is 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole is Fc1ccc(-n2nnnc2CCl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole?
The InChIKey is FQLNLHCGIMJBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN4/c9-4-8-12-13-14-15(8)7-2-1-5(11)3-6(7)10/h1-3H,4H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole?
1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole has a molecular weight of 247.06 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-5-(chloromethyl)tetrazole is sourced from PubChem (CID 43134726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).