4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine

C11H14FN5 — CID 84758985

IUPAC4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ccccc1F
InChIInChI=1S/C11H14FN5/c12-10-6-2-1-5-9(10)11-14-15-16-17(11)8-4-3-7-13/h1-2,5-6H,3-4,7-8,13H2
InChIKeyPCDMXHSIJYXVLB-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.22
Rot. Bonds5

About 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine

4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine (PubChem CID 84758985) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
PubChem CID84758985
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC Name4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ccccc1F
InChIInChI=1S/C11H14FN5/c12-10-6-2-1-5-9(10)11-14-15-16-17(11)8-4-3-7-13/h1-2,5-6H,3-4,7-8,13H2
InChIKeyPCDMXHSIJYXVLB-UHFFFAOYSA-N
XLogP1.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-[2-(trifluoromethyl)phenyl]tetrazol-1-yl]butan-1-amine
CID 84759025
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
4-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 62500562
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
CID 115534182
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
CID 84759516
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
CID 107935487
4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387339

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine (CID 84758985) is 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1-c1ccccc1F.
What is the InChIKey of 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is PCDMXHSIJYXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c12-10-6-2-1-5-9(10)11-14-15-16-17(11)8-4-3-7-13/h1-2,5-6H,3-4,7-8,13H2.
What are the key properties of 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine?
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 84758985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).