2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole

C14H9ClF2N4 — CID 830999

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C14H9ClF2N4/c15-12-2-1-3-13(17)11(12)8-21-19-14(18-20-21)9-4-6-10(16)7-5-9/h1-7H,8H2
InChIKeyFOTCQQFVTVHJDL-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.32
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole

2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole (PubChem CID 830999) has the molecular formula C14H9ClF2N4 and a molecular weight of 306.70 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole
PubChem CID830999
Molecular FormulaC14H9ClF2N4
Molecular Weight306.70 g/mol
Exact Mass306.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-c2nnn(Cc3c(F)cccc3Cl)n2)cc1
InChIInChI=1S/C14H9ClF2N4/c15-12-2-1-3-13(17)11(12)8-21-19-14(18-20-21)9-4-6-10(16)7-5-9/h1-7H,8H2
InChIKeyFOTCQQFVTVHJDL-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole (CID 830999) is 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole is Fc1ccc(-c2nnn(Cc3c(F)cccc3Cl)n2)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
The InChIKey is FOTCQQFVTVHJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4/c15-12-2-1-3-13(17)11(12)8-21-19-14(18-20-21)9-4-6-10(16)7-5-9/h1-7H,8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole?
2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole has a molecular weight of 306.70 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-5-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 830999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).