1-(4-fluorophenyl)tetrazole

C7H5FN4 — CID 825628

IUPAC1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C7H5FN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKeySRYSZGDWCLIPNV-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.80
Rot. Bonds1

About 1-(4-fluorophenyl)tetrazole

1-(4-fluorophenyl)tetrazole (PubChem CID 825628) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-(4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)tetrazole
PubChem CID825628
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name1-(4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C7H5FN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKeySRYSZGDWCLIPNV-UHFFFAOYSA-N
XLogP0.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tetrazol-1-yl)phenolate
CID 101371881
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296
4-(tetrazol-1-yl)benzaldehyde
CID 55266152
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449
N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
CID 37363321
4-fluoro-2-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 103947423
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 90518653
1-[3-[(4-fluorophenyl)methoxy]phenyl]tetrazole
CID 1157293
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
[3-(tetrazol-1-yl)phenyl] 4-fluorobenzoate
CID 1157241

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)tetrazole?
The IUPAC name of 1-(4-fluorophenyl)tetrazole (CID 825628) is 1-(4-fluorophenyl)tetrazole.
What is the SMILES notation for 1-(4-fluorophenyl)tetrazole?
The canonical SMILES for 1-(4-fluorophenyl)tetrazole is Fc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)tetrazole?
The InChIKey is SRYSZGDWCLIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H.
What are the key properties of 1-(4-fluorophenyl)tetrazole?
1-(4-fluorophenyl)tetrazole has a molecular weight of 164.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)tetrazole is sourced from PubChem (CID 825628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).