[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine

C8H7ClFN5 — CID 62761189

IUPAC[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C8H7ClFN5/c9-5-1-2-7(6(10)3-5)15-8(4-11)12-13-14-15/h1-3H,4,11H2
InChIKeyRNYLJPKCAGLGPE-UHFFFAOYSA-N
MW227.63 g/mol
LogP0.91
Rot. Bonds2

About [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine

[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine (PubChem CID 62761189) has the molecular formula C8H7ClFN5 and a molecular weight of 227.63 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
PubChem CID62761189
Molecular FormulaC8H7ClFN5
Molecular Weight227.63 g/mol
Exact Mass227.04
IUPAC Name[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine
SMILESNCc1nnnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C8H7ClFN5/c9-5-1-2-7(6(10)3-5)15-8(4-11)12-13-14-15/h1-3H,4,11H2
InChIKeyRNYLJPKCAGLGPE-UHFFFAOYSA-N
XLogP0.91
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine (CID 62761189) is [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine is NCc1nnnn1-c1ccc(Cl)cc1F.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
The InChIKey is RNYLJPKCAGLGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5/c9-5-1-2-7(6(10)3-5)15-8(4-11)12-13-14-15/h1-3H,4,11H2.
What are the key properties of [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine?
[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine has a molecular weight of 227.63 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62761189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).