5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole

C16H15FN4 — CID 58128939

IUPAC5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
SMILESFc1ccccc1CCCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H15FN4/c17-15-7-2-1-5-13(15)6-3-4-12-8-10-14(11-9-12)16-18-20-21-19-16/h1-2,5,7-11H,3-4,6H2,(H,18,19,20,21)
InChIKeyCDWZIMFXISOKSW-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.18
Rot. Bonds5

About 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole

5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole (PubChem CID 58128939) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
PubChem CID58128939
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole
SMILESFc1ccccc1CCCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H15FN4/c17-15-7-2-1-5-13(15)6-3-4-12-8-10-14(11-9-12)16-18-20-21-19-16/h1-2,5,7-11H,3-4,6H2,(H,18,19,20,21)
InChIKeyCDWZIMFXISOKSW-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole (CID 58128939) is 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole is Fc1ccccc1CCCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
The InChIKey is CDWZIMFXISOKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-15-7-2-1-5-13(15)6-3-4-12-8-10-14(11-9-12)16-18-20-21-19-16/h1-2,5,7-11H,3-4,6H2,(H,18,19,20,21).
What are the key properties of 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole?
5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole has a molecular weight of 282.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(2-fluorophenyl)propyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 58128939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).