2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone

C11H15F3N4O — CID 107063318

IUPAC2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESCn1nnc(CC(=O)C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4O/c1-18-16-10(15-17-18)6-9(19)7-3-2-4-8(5-7)11(12,13)14/h7-8H,2-6H2,1H3
InChIKeyCZLPPJVKXKVNFH-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone

2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 107063318) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID107063318
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
SMILESCn1nnc(CC(=O)C2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H15F3N4O/c1-18-16-10(15-17-18)6-9(19)7-3-2-4-8(5-7)11(12,13)14/h7-8H,2-6H2,1H3
InChIKeyCZLPPJVKXKVNFH-UHFFFAOYSA-N
XLogP1.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105128124
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
(1-methylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 103133856
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-one
CID 105091653
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
5,5-dimethyl-2-[2-(2-methyltetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598418
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone (CID 107063318) is 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is Cn1nnc(CC(=O)C2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is CZLPPJVKXKVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-18-16-10(15-17-18)6-9(19)7-3-2-4-8(5-7)11(12,13)14/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone?
2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 276.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 107063318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).