[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol

C13H17F3N2O — CID 62520440

IUPAC[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1(Nc2cccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-5-4-6-11(17-10)18-12(9-19)7-2-1-3-8-12/h4-6,19H,1-3,7-9H2,(H,17,18)
InChIKeyNWPMOVRHQJDGDO-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.21
Rot. Bonds3

About [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol

[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 62520440) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
PubChem CID62520440
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1(Nc2cccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-5-4-6-11(17-10)18-12(9-19)7-2-1-3-8-12/h4-6,19H,1-3,7-9H2,(H,17,18)
InChIKeyNWPMOVRHQJDGDO-UHFFFAOYSA-N
XLogP3.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol (CID 62520440) is [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol is OCC1(Nc2cccc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is NWPMOVRHQJDGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-5-4-6-11(17-10)18-12(9-19)7-2-1-3-8-12/h4-6,19H,1-3,7-9H2,(H,17,18).
What are the key properties of [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol?
[1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 274.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 62520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).