3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol

C12H20F3NO2 — CID 106100058

IUPAC3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC2CCCCC2C(F)(F)F)CCOC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-3-1-2-4-10(9)16-7-11(17)5-6-18-8-11/h9-10,16-17H,1-8H2
InChIKeyQJGXQWGOAIEDTI-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.85
Rot. Bonds3

About 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol

3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol (PubChem CID 106100058) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
PubChem CID106100058
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
SMILESOC1(CNC2CCCCC2C(F)(F)F)CCOC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-3-1-2-4-10(9)16-7-11(17)5-6-18-8-11/h9-10,16-17H,1-8H2
InChIKeyQJGXQWGOAIEDTI-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol (CID 106100058) is 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol is OC1(CNC2CCCCC2C(F)(F)F)CCOC1.
What is the InChIKey of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
The InChIKey is QJGXQWGOAIEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-3-1-2-4-10(9)16-7-11(17)5-6-18-8-11/h9-10,16-17H,1-8H2.
What are the key properties of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol?
3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol has a molecular weight of 267.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).