2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine

C10H9ClF3N5 — CID 82227993

IUPAC2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
SMILESNCCc1nnnn1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3N5/c11-8-2-1-6(5-7(8)10(12,13)14)19-9(3-4-15)16-17-18-19/h1-2,5H,3-4,15H2
InChIKeyJLDKZEYXXBFHJI-UHFFFAOYSA-N
MW291.66 g/mol
LogP1.84
Rot. Bonds3

About 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine

2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine (PubChem CID 82227993) has the molecular formula C10H9ClF3N5 and a molecular weight of 291.66 g/mol. Its IUPAC name is 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
PubChem CID82227993
Molecular FormulaC10H9ClF3N5
Molecular Weight291.66 g/mol
Exact Mass291.05
IUPAC Name2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
SMILESNCCc1nnnn1-c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF3N5/c11-8-2-1-6(5-7(8)10(12,13)14)19-9(3-4-15)16-17-18-19/h1-2,5H,3-4,15H2
InChIKeyJLDKZEYXXBFHJI-UHFFFAOYSA-N
XLogP1.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62737745
[1-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanamine
CID 82196888
4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 43617261
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]-N-ethylethanamine
CID 103084725
4-chloro-N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 51225137
2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
[1-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 82094824
5-[5-(chloromethyl)tetrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 86691875
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
3-[1-(3,5-dichlorophenyl)tetrazol-5-yl]propan-1-amine
CID 82228072
N-[[1-[4-methyl-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62762257

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine (CID 82227993) is 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine is NCCc1nnnn1-c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
The InChIKey is JLDKZEYXXBFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5/c11-8-2-1-6(5-7(8)10(12,13)14)19-9(3-4-15)16-17-18-19/h1-2,5H,3-4,15H2.
What are the key properties of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine has a molecular weight of 291.66 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82227993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).