2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol

C13H24F3NO2 — CID 65337458

IUPAC2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)C(C)(C)O
InChIInChI=1S/C13H24F3NO2/c1-9(12(2,3)18)17-10-5-4-6-11(7-10)19-8-13(14,15)16/h9-11,17-18H,4-8H2,1-3H3
InChIKeyZEIPNOFNUUAAQJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol

2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol (PubChem CID 65337458) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol
PubChem CID65337458
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol
SMILESCC(NC1CCCC(OCC(F)(F)F)C1)C(C)(C)O
InChIInChI=1S/C13H24F3NO2/c1-9(12(2,3)18)17-10-5-4-6-11(7-10)19-8-13(14,15)16/h9-11,17-18H,4-8H2,1-3H3
InChIKeyZEIPNOFNUUAAQJ-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol (CID 65337458) is 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol is CC(NC1CCCC(OCC(F)(F)F)C1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol?
The InChIKey is ZEIPNOFNUUAAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-9(12(2,3)18)17-10-5-4-6-11(7-10)19-8-13(14,15)16/h9-11,17-18H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol?
2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[3-(2,2,2-trifluoroethoxy)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 65337458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).