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

C8H5ClF3N5 — CID 79506304

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESNc1nnnn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5ClF3N5/c9-5-2-1-4(8(10,11)12)3-6(5)17-7(13)14-15-16-17/h1-3H,(H2,13,14,16)
InChIKeyNSLIJYWAMSISSY-UHFFFAOYSA-N
MW263.61 g/mol
LogP1.92
Rot. Bonds1

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

1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine (PubChem CID 79506304) has the molecular formula C8H5ClF3N5 and a molecular weight of 263.61 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
PubChem CID79506304
Molecular FormulaC8H5ClF3N5
Molecular Weight263.61 g/mol
Exact Mass263.02
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine
SMILESNc1nnnn1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5ClF3N5/c9-5-2-1-4(8(10,11)12)3-6(5)17-7(13)14-15-16-17/h1-3H,(H2,13,14,16)
InChIKeyNSLIJYWAMSISSY-UHFFFAOYSA-N
XLogP1.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.61
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine (CID 79506304) is 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine is Nc1nnnn1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine?
The InChIKey is NSLIJYWAMSISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N5/c9-5-2-1-4(8(10,11)12)3-6(5)17-7(13)14-15-16-17/h1-3H,(H2,13,14,16).
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine?
1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine has a molecular weight of 263.61 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]tetrazol-5-amine is sourced from PubChem (CID 79506304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).