1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

C11H16F3N3O — CID 107046078

IUPAC1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1cc(CC2(O)CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C11H16F3N3O/c1-17-7-9(15-16-17)6-10(18)4-2-3-8(5-10)11(12,13)14/h7-8,18H,2-6H2,1H3
InChIKeyFAUURQIQESFDIQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.84
Rot. Bonds2

About 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 107046078) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID107046078
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1cc(CC2(O)CCCC(C(F)(F)F)C2)nn1
InChIInChI=1S/C11H16F3N3O/c1-17-7-9(15-16-17)6-10(18)4-2-3-8(5-10)11(12,13)14/h7-8,18H,2-6H2,1H3
InChIKeyFAUURQIQESFDIQ-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 107046078) is 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is Cn1cc(CC2(O)CCCC(C(F)(F)F)C2)nn1.
What is the InChIKey of 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is FAUURQIQESFDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-17-7-9(15-16-17)6-10(18)4-2-3-8(5-10)11(12,13)14/h7-8,18H,2-6H2,1H3.
What are the key properties of 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyltriazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 107046078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).