2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol

C12H15F3N2O — CID 62358521

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-6-3-7-11(17-10)16-8-4-1-2-5-9(8)18/h3,6-9,18H,1-2,4-5H2,(H,16,17)
InChIKeyMQYLXMYGAGELOH-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.82
Rot. Bonds2

About 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol

2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 62358521) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID62358521
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-6-3-7-11(17-10)16-8-4-1-2-5-9(8)18/h3,6-9,18H,1-2,4-5H2,(H,16,17)
InChIKeyMQYLXMYGAGELOH-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol (CID 62358521) is 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol is OC1CCCCC1Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is MQYLXMYGAGELOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-6-3-7-11(17-10)16-8-4-1-2-5-9(8)18/h3,6-9,18H,1-2,4-5H2,(H,16,17).
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol?
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 260.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62358521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).