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

C10H10F3N5 — CID 82299800

IUPAC2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
SMILESNCCc1nnn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)7-1-3-8(4-2-7)18-16-9(5-6-14)15-17-18/h1-4H,5-6,14H2
InChIKeyWFGYETAFXGMEFU-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.18
Rot. Bonds3

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

2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine (PubChem CID 82299800) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
PubChem CID82299800
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
SMILESNCCc1nnn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)7-1-3-8(4-2-7)18-16-9(5-6-14)15-17-18/h1-4H,5-6,14H2
InChIKeyWFGYETAFXGMEFU-UHFFFAOYSA-N
XLogP1.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-tert-butylphenyl)tetrazol-5-yl]ethanamine
CID 82294851
2-[1-[4-(trifluoromethyl)phenyl]pyrrol-2-yl]ethanamine
CID 147131024
2-[2-(2,3-dichlorophenyl)tetrazol-5-yl]ethanamine
CID 82300255
1-amino-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pentan-3-ol
CID 155953301
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399576
(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 130469846
1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethanamine
CID 154960636
N-[(2S)-1-hydroxybutan-2-yl]-2-[4-(trifluoromethyl)phenyl]tetrazole-5-carboxamide
CID 95985461
CID 59526767
CID 59526767
4-(2-aminoethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068762
ethyl 1-[2-[4-(trifluoromethyl)phenyl]tetrazole-5-carbonyl]piperidine-3-carboxylate
CID 71791537

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine (CID 82299800) is 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine is NCCc1nnn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
The InChIKey is WFGYETAFXGMEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)7-1-3-8(4-2-7)18-16-9(5-6-14)15-17-18/h1-4H,5-6,14H2.
What are the key properties of 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine?
2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine has a molecular weight of 257.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 82299800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).