2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine

C9H8F3N5 — CID 107935487

IUPAC2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C9H8F3N5/c10-6-2-1-5(7(11)8(6)12)9-14-15-16-17(9)4-3-13/h1-2H,3-4,13H2
InChIKeyAHJBOOIWHCYMQZ-UHFFFAOYSA-N
MW243.19 g/mol
LogP0.72
Rot. Bonds3

About 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine

2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine (PubChem CID 107935487) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
PubChem CID107935487
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine
SMILESNCCn1nnnc1-c1ccc(F)c(F)c1F
InChIInChI=1S/C9H8F3N5/c10-6-2-1-5(7(11)8(6)12)9-14-15-16-17(9)4-3-13/h1-2H,3-4,13H2
InChIKeyAHJBOOIWHCYMQZ-UHFFFAOYSA-N
XLogP0.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
2-[5-(4-fluoro-3-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375590
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
3-(1-butyltetrazol-5-yl)-4-fluoroaniline
CID 61351874
1-benzyl-5-(2,3-difluorophenyl)tetrazole
CID 11543614
4-[5-(2-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
4-[5-(2,3-difluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541642
2-[5-(2-methyl-5-nitrophenyl)tetrazol-1-yl]ethanamine
CID 62100019
2-(5-quinolin-2-yltetrazol-1-yl)ethanamine
CID 63222687

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine?
The IUPAC name of 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine (CID 107935487) is 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine?
The canonical SMILES for 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine is NCCn1nnnc1-c1ccc(F)c(F)c1F.
What is the InChIKey of 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine?
The InChIKey is AHJBOOIWHCYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c10-6-2-1-5(7(11)8(6)12)9-14-15-16-17(9)4-3-13/h1-2H,3-4,13H2.
What are the key properties of 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine?
2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine has a molecular weight of 243.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3,4-trifluorophenyl)tetrazol-1-yl]ethanamine is sourced from PubChem (CID 107935487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).