2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline

C10H10F3N5 — CID 61352693

IUPAC2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-c2nnnn2CC(F)(F)F)c1N
InChIInChI=1S/C10H10F3N5/c1-6-3-2-4-7(8(6)14)9-15-16-17-18(9)5-10(11,12)13/h2-4H,5,14H2,1H3
InChIKeyUWXFEHVKSHFZAH-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline

2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline (PubChem CID 61352693) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
PubChem CID61352693
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-c2nnnn2CC(F)(F)F)c1N
InChIInChI=1S/C10H10F3N5/c1-6-3-2-4-7(8(6)14)9-15-16-17-18(9)5-10(11,12)13/h2-4H,5,14H2,1H3
InChIKeyUWXFEHVKSHFZAH-UHFFFAOYSA-N
XLogP1.79
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,3-dimethylbutyl)tetrazol-5-yl]-6-methylaniline
CID 64599453
4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61352878
3-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784465
5-bromo-2-methyl-3-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 107873944
2-chloro-6-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115548061
2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-3-methylaniline
CID 61377038
2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485909
2-[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]aniline
CID 55175336
3-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-4-methylaniline
CID 61377800
3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
3-methyl-2-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521943
2-methoxy-4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline
CID 104784464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline (CID 61352693) is 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline is Cc1cccc(-c2nnnn2CC(F)(F)F)c1N.
What is the InChIKey of 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline?
The InChIKey is UWXFEHVKSHFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-6-3-2-4-7(8(6)14)9-15-16-17-18(9)5-10(11,12)13/h2-4H,5,14H2,1H3.
What are the key properties of 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline?
2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline has a molecular weight of 257.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).