3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile

C10H8FN5 — CID 591006

IUPAC3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile
SMILESN#CCCn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C10H8FN5/c11-9-5-2-1-4-8(9)10-13-15-16(14-10)7-3-6-12/h1-2,4-5H,3,7H2
InChIKeySNVDBFURCIFKET-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.39
Rot. Bonds3

About 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile

3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile (PubChem CID 591006) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile
PubChem CID591006
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile
SMILESN#CCCn1nnc(-c2ccccc2F)n1
InChIInChI=1S/C10H8FN5/c11-9-5-2-1-4-8(9)10-13-15-16(14-10)7-3-6-12/h1-2,4-5H,3,7H2
InChIKeySNVDBFURCIFKET-UHFFFAOYSA-N
XLogP1.39
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile?
The IUPAC name of 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile (CID 591006) is 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile.
What is the SMILES notation for 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile?
The canonical SMILES for 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile is N#CCCn1nnc(-c2ccccc2F)n1.
What is the InChIKey of 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile?
The InChIKey is SNVDBFURCIFKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c11-9-5-2-1-4-8(9)10-13-15-16(14-10)7-3-6-12/h1-2,4-5H,3,7H2.
What are the key properties of 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile?
3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile has a molecular weight of 217.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)tetrazol-2-yl]propanenitrile is sourced from PubChem (CID 591006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).