3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

C10H14F3N3 — CID 61338711

IUPAC3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)6-8-14-9(16-15-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15,16)
InChIKeyNLCGOTICBDLTPL-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.96
Rot. Bonds2

About 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (PubChem CID 61338711) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
PubChem CID61338711
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)Cc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C10H14F3N3/c11-10(12,13)6-8-14-9(16-15-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15,16)
InChIKeyNLCGOTICBDLTPL-UHFFFAOYSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole (CID 61338711) is 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is FC(F)(F)Cc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
The InChIKey is NLCGOTICBDLTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c11-10(12,13)6-8-14-9(16-15-8)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,15,16).
What are the key properties of 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole has a molecular weight of 233.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61338711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).