N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline

C13H10FN5 — CID 125465422

IUPACN-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline
SMILESFc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H10FN5/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13-16-18-19-17-13/h1-8,15H,(H,16,17,18,19)
InChIKeyGAKNZZRETOCBMS-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.75
Rot. Bonds3

About N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline

N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline (PubChem CID 125465422) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline
PubChem CID125465422
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC NameN-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline
SMILESFc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H10FN5/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13-16-18-19-17-13/h1-8,15H,(H,16,17,18,19)
InChIKeyGAKNZZRETOCBMS-UHFFFAOYSA-N
XLogP2.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline (CID 125465422) is N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline is Fc1ccc(Nc2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline?
The InChIKey is GAKNZZRETOCBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13-16-18-19-17-13/h1-8,15H,(H,16,17,18,19).
What are the key properties of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline?
N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline has a molecular weight of 255.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 125465422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).