N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

C14H9F4N5 — CID 134815316

IUPACN-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFc1cccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F4N5/c15-10-4-2-5-11(8-10)19-13-20-21-22-23(13)12-6-1-3-9(7-12)14(16,17)18/h1-8H,(H,19,20,22)
InChIKeyWSQWCQGGFDUGMF-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.56
Rot. Bonds3

About N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine

N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (PubChem CID 134815316) has the molecular formula C14H9F4N5 and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
PubChem CID134815316
Molecular FormulaC14H9F4N5
Molecular Weight323.25 g/mol
Exact Mass323.08
IUPAC NameN-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESFc1cccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H9F4N5/c15-10-4-2-5-11(8-10)19-13-20-21-22-23(13)12-6-1-3-9(7-12)14(16,17)18/h1-8H,(H,19,20,22)
InChIKeyWSQWCQGGFDUGMF-UHFFFAOYSA-N
XLogP3.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The IUPAC name of N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine (CID 134815316) is N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine.
What is the SMILES notation for N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The canonical SMILES for N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is Fc1cccc(Nc2nnnn2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
The InChIKey is WSQWCQGGFDUGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N5/c15-10-4-2-5-11(8-10)19-13-20-21-22-23(13)12-6-1-3-9(7-12)14(16,17)18/h1-8H,(H,19,20,22).
What are the key properties of N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine?
N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine has a molecular weight of 323.25 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]tetrazol-5-amine is sourced from PubChem (CID 134815316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).