[1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol

C11H20F3NO2 — CID 79640275

IUPAC[1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-8(11(12,13)14)17-9-4-3-5-10(6-9,7-16)15-2/h8-9,15-16H,3-7H2,1-2H3
InChIKeyOCWQUPUGUAUPDO-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds4

About [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol

[1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (PubChem CID 79640275) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
PubChem CID79640275
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-8(11(12,13)14)17-9-4-3-5-10(6-9,7-16)15-2/h8-9,15-16H,3-7H2,1-2H3
InChIKeyOCWQUPUGUAUPDO-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (CID 79640275) is [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is CNC1(CO)CCCC(OC(C)C(F)(F)F)C1.
What is the InChIKey of [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The InChIKey is OCWQUPUGUAUPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8(11(12,13)14)17-9-4-3-5-10(6-9,7-16)15-2/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
[1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 79640275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).