3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline

C9H10FN5O — CID 107040851

IUPAC3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
SMILESCn1nnc(COc2ccc(N)cc2F)n1
InChIInChI=1S/C9H10FN5O/c1-15-13-9(12-14-15)5-16-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKeyJCAXQTFGWFNZQW-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.51
Rot. Bonds3

About 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline

3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline (PubChem CID 107040851) has the molecular formula C9H10FN5O and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
PubChem CID107040851
Molecular FormulaC9H10FN5O
Molecular Weight223.21 g/mol
Exact Mass223.09
IUPAC Name3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline
SMILESCn1nnc(COc2ccc(N)cc2F)n1
InChIInChI=1S/C9H10FN5O/c1-15-13-9(12-14-15)5-16-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKeyJCAXQTFGWFNZQW-UHFFFAOYSA-N
XLogP0.51
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
The IUPAC name of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline (CID 107040851) is 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
The canonical SMILES for 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline is Cn1nnc(COc2ccc(N)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
The InChIKey is JCAXQTFGWFNZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O/c1-15-13-9(12-14-15)5-16-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline?
3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline has a molecular weight of 223.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methyltetrazol-5-yl)methoxy]aniline is sourced from PubChem (CID 107040851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).