1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole

C11H11F3N4 — CID 143612480

IUPAC1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole
SMILESCCc1cc(-n2nnnc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4/c1-3-8-4-9(11(12,13)14)6-10(5-8)18-7(2)15-16-17-18/h4-6H,3H2,1-2H3
InChIKeyHVMNFQCXFVXCPM-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.55
Rot. Bonds2

About 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole

1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole (PubChem CID 143612480) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole.

Molecular Properties

Compound Name1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole
PubChem CID143612480
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole
SMILESCCc1cc(-n2nnnc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4/c1-3-8-4-9(11(12,13)14)6-10(5-8)18-7(2)15-16-17-18/h4-6H,3H2,1-2H3
InChIKeyHVMNFQCXFVXCPM-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethyl-5-(trifluoromethyl)phenyl]-4-methylimidazole
CID 67891313
1-[3-ethyl-5-(trifluoromethyl)phenyl]imidazole
CID 71073153
1-[3-ethyl-5-(trifluoromethyl)phenyl]-3-methylpyrrole
CID 156726927
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
[3-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504564
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
3-fluoro-5-(5-methyltetrazol-1-yl)aniline
CID 107335280
N,N-dimethyl-1-[5-[[3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2H-triazol-4-yl]methanamine
CID 18942161
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
N,N-dimethyl-1-[5-[[(2S,3S)-3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]-2H-triazol-4-yl]methanamine;dihydrochloride
CID 67717675
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 2805607

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole?
The IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole (CID 143612480) is 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole.
What is the SMILES notation for 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole?
The canonical SMILES for 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole is CCc1cc(-n2nnnc2C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole?
The InChIKey is HVMNFQCXFVXCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-3-8-4-9(11(12,13)14)6-10(5-8)18-7(2)15-16-17-18/h4-6H,3H2,1-2H3.
What are the key properties of 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole?
1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole has a molecular weight of 256.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(trifluoromethyl)phenyl]-5-methyltetrazole is sourced from PubChem (CID 143612480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).