3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline

C9H10FN5 — CID 89043604

IUPAC3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cc(N)cc(CF)c1
InChIInChI=1S/C9H10FN5/c1-15-9(12-13-14-15)7-2-6(5-10)3-8(11)4-7/h2-4H,5,11H2,1H3
InChIKeyFKONGRHBOJZOEC-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.93
Rot. Bonds2

About 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline

3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline (PubChem CID 89043604) has the molecular formula C9H10FN5 and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline
PubChem CID89043604
Molecular FormulaC9H10FN5
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cc(N)cc(CF)c1
InChIInChI=1S/C9H10FN5/c1-15-9(12-13-14-15)7-2-6(5-10)3-8(11)4-7/h2-4H,5,11H2,1H3
InChIKeyFKONGRHBOJZOEC-UHFFFAOYSA-N
XLogP0.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline (CID 89043604) is 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline is Cn1nnnc1-c1cc(N)cc(CF)c1.
What is the InChIKey of 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline?
The InChIKey is FKONGRHBOJZOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5/c1-15-9(12-13-14-15)7-2-6(5-10)3-8(11)4-7/h2-4H,5,11H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline?
3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline has a molecular weight of 207.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 89043604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).