(3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

C11H14F3N3O — CID 105131398

IUPAC(3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCn1nncc1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3O/c1-17-9(6-15-16-17)10(18)7-2-4-8(5-3-7)11(12,13)14/h6-8H,2-5H2,1H3
InChIKeyVSNRXJZHIKRTOJ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.37
Rot. Bonds2

About (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone

(3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105131398) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105131398
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCn1nncc1C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3O/c1-17-9(6-15-16-17)10(18)7-2-4-8(5-3-7)11(12,13)14/h6-8H,2-5H2,1H3
InChIKeyVSNRXJZHIKRTOJ-UHFFFAOYSA-N
XLogP2.37
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethanone
CID 175926411
1-[1-(Cyclohexylmethyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 55092154
1-[1-(2-Ethylcyclohexyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 55251688
1-[1-(3-Ethylcyclohexyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 64249715
2,2,2-Trifluoro-1-[1-(3-methylcyclohexyl)triazol-4-yl]ethanone
CID 64249716
2,2,2-Trifluoro-1-[1-(4-methylcyclohexyl)triazol-4-yl]ethanone
CID 64775291
1-[1-(4-Ethylcyclohexyl)triazol-4-yl]-2,2,2-trifluoroethanone
CID 64775493
3,3,3-Trifluoro-1-(3-methyltriazol-4-yl)-2-(trifluoromethyl)propan-1-one
CID 103311585
(3-Propyltriazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105129398
(3-Propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105129401
(3-Propyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105129456
(3-Methyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105131356

Frequently Asked Questions

What is the IUPAC name of (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone (CID 105131398) is (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is Cn1nncc1C(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is VSNRXJZHIKRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17-9(6-15-16-17)10(18)7-2-4-8(5-3-7)11(12,13)14/h6-8H,2-5H2,1H3.
What are the key properties of (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone?
(3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 261.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105131398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).