[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine

C14H11F2N5 — CID 63078222

IUPAC[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
SMILESNCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H11F2N5/c15-11-6-9(8-17)7-12(16)13(11)21-19-14(18-20-21)10-4-2-1-3-5-10/h1-7H,8,17H2
InChIKeyDPKXPPZKPLJENA-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.07
Rot. Bonds3

About [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine

[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine (PubChem CID 63078222) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
PubChem CID63078222
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine
SMILESNCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C14H11F2N5/c15-11-6-9(8-17)7-12(16)13(11)21-19-14(18-20-21)10-4-2-1-3-5-10/h1-7H,8,17H2
InChIKeyDPKXPPZKPLJENA-UHFFFAOYSA-N
XLogP2.07
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine (CID 63078222) is [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine is NCc1cc(F)c(-n2nnc(-c3ccccc3)n2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
The InChIKey is DPKXPPZKPLJENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5/c15-11-6-9(8-17)7-12(16)13(11)21-19-14(18-20-21)10-4-2-1-3-5-10/h1-7H,8,17H2.
What are the key properties of [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine?
[3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine has a molecular weight of 287.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(5-phenyltetrazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 63078222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).