N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine

C15H8ClF6N5 — CID 15869768

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFC(F)(F)c1ccc(-n2nnnc2Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H8ClF6N5/c16-11-7-9(15(20,21)22)3-6-12(11)23-13-24-25-26-27(13)10-4-1-8(2-5-10)14(17,18)19/h1-7H,(H,23,24,26)
InChIKeyVXAHQBMUAHDVEM-UHFFFAOYSA-N
MW407.71 g/mol
LogP5.10
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine (PubChem CID 15869768) has the molecular formula C15H8ClF6N5 and a molecular weight of 407.71 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine
PubChem CID15869768
Molecular FormulaC15H8ClF6N5
Molecular Weight407.71 g/mol
Exact Mass407.04
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFC(F)(F)c1ccc(-n2nnnc2Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H8ClF6N5/c16-11-7-9(15(20,21)22)3-6-12(11)23-13-24-25-26-27(13)10-4-1-8(2-5-10)14(17,18)19/h1-7H,(H,23,24,26)
InChIKeyVXAHQBMUAHDVEM-UHFFFAOYSA-N
XLogP5.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.71
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine (CID 15869768) is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine is FC(F)(F)c1ccc(-n2nnnc2Nc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine?
The InChIKey is VXAHQBMUAHDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF6N5/c16-11-7-9(15(20,21)22)3-6-12(11)23-13-24-25-26-27(13)10-4-1-8(2-5-10)14(17,18)19/h1-7H,(H,23,24,26).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine?
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine has a molecular weight of 407.71 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-[4-(trifluoromethyl)phenyl]tetrazol-5-amine is sourced from PubChem (CID 15869768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).