3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline

C8H7F2N5 — CID 59442741

IUPAC3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cc(N)cc(F)c1F
InChIInChI=1S/C8H7F2N5/c1-15-8(12-13-14-15)5-2-4(11)3-6(9)7(5)10/h2-3H,11H2,1H3
InChIKeyWAFDMNDYCRDORM-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.74
Rot. Bonds1

About 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline

3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline (PubChem CID 59442741) has the molecular formula C8H7F2N5 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline
PubChem CID59442741
Molecular FormulaC8H7F2N5
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cc(N)cc(F)c1F
InChIInChI=1S/C8H7F2N5/c1-15-8(12-13-14-15)5-2-4(11)3-6(9)7(5)10/h2-3H,11H2,1H3
InChIKeyWAFDMNDYCRDORM-UHFFFAOYSA-N
XLogP0.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.74
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 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline (CID 59442741) is 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline is Cn1nnnc1-c1cc(N)cc(F)c1F.
What is the InChIKey of 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline?
The InChIKey is WAFDMNDYCRDORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5/c1-15-8(12-13-14-15)5-2-4(11)3-6(9)7(5)10/h2-3H,11H2,1H3.
What are the key properties of 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline?
3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline has a molecular weight of 211.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 59442741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).