2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole

C14H10ClFN4 — CID 106530553

IUPAC2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole
SMILESFc1cc(CCl)cc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H10ClFN4/c15-9-10-6-12(16)8-13(7-10)20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyNXUNRBZBAXXZEC-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.21
Rot. Bonds3

About 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole

2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole (PubChem CID 106530553) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole
PubChem CID106530553
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole
SMILESFc1cc(CCl)cc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C14H10ClFN4/c15-9-10-6-12(16)8-13(7-10)20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyNXUNRBZBAXXZEC-UHFFFAOYSA-N
XLogP3.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.21
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

3-fluoro-5-(5-phenyltetrazol-2-yl)benzonitrile
CID 72660942
5-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
CID 61257439
[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanol
CID 63076359
[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 63078222
N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
CID 63943078
5-chloro-4-(chloromethyl)-2-(5-phenyltetrazol-2-yl)pyridine
CID 114921140
5-[[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]methyl]-2-methylpyridine
CID 69151599
5-fluoro-2-(5-phenyltetrazol-2-yl)benzonitrile
CID 63668025
3-(5-phenyltetrazol-2-yl)benzoic acid
CID 63941692
5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
3-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)phenyl]-N-methylaniline
CID 142807301
1-[3-(chloromethyl)-5-fluorophenyl]pyrazole
CID 106530554

Frequently Asked Questions

What is the IUPAC name of 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole?
The IUPAC name of 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole (CID 106530553) is 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole?
The canonical SMILES for 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole is Fc1cc(CCl)cc(-n2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole?
The InChIKey is NXUNRBZBAXXZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-9-10-6-12(16)8-13(7-10)20-18-14(17-19-20)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole?
2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole has a molecular weight of 288.71 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(chloromethyl)-5-fluorophenyl]-5-phenyltetrazole is sourced from PubChem (CID 106530553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).