5-(4-fluoro-3-propylphenyl)-2H-benzotriazole

C15H14FN3 — CID 91805832

IUPAC5-(4-fluoro-3-propylphenyl)-2H-benzotriazole
SMILESCCCc1cc(-c2ccc3n[nH]nc3c2)ccc1F
InChIInChI=1S/C15H14FN3/c1-2-3-12-8-10(4-6-13(12)16)11-5-7-14-15(9-11)18-19-17-14/h4-9H,2-3H2,1H3,(H,17,18,19)
InChIKeyNRBHOYAJKSBXQI-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.72
Rot. Bonds3

About 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole

5-(4-fluoro-3-propylphenyl)-2H-benzotriazole (PubChem CID 91805832) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole.

Molecular Properties

Compound Name5-(4-fluoro-3-propylphenyl)-2H-benzotriazole
PubChem CID91805832
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name5-(4-fluoro-3-propylphenyl)-2H-benzotriazole
SMILESCCCc1cc(-c2ccc3n[nH]nc3c2)ccc1F
InChIInChI=1S/C15H14FN3/c1-2-3-12-8-10(4-6-13(12)16)11-5-7-14-15(9-11)18-19-17-14/h4-9H,2-3H2,1H3,(H,17,18,19)
InChIKeyNRBHOYAJKSBXQI-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole?
The IUPAC name of 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole (CID 91805832) is 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole.
What is the SMILES notation for 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole?
The canonical SMILES for 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole is CCCc1cc(-c2ccc3n[nH]nc3c2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole?
The InChIKey is NRBHOYAJKSBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-2-3-12-8-10(4-6-13(12)16)11-5-7-14-15(9-11)18-19-17-14/h4-9H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole?
5-(4-fluoro-3-propylphenyl)-2H-benzotriazole has a molecular weight of 255.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-propylphenyl)-2H-benzotriazole is sourced from PubChem (CID 91805832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).