3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol

C12H20F3NO — CID 66005857

IUPAC3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-8-5-9(17)6-8/h8-11,16-17H,1-7H2
InChIKeyNDXXPFDFPUVKSI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.47
Rot. Bonds3

About 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol

3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol (PubChem CID 66005857) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol
PubChem CID66005857
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNC2CCCCC2C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-8-5-9(17)6-8/h8-11,16-17H,1-7H2
InChIKeyNDXXPFDFPUVKSI-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol (CID 66005857) is 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol is OC1CC(CNC2CCCCC2C(F)(F)F)C1.
What is the InChIKey of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is NDXXPFDFPUVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-3-1-2-4-11(10)16-7-8-5-9(17)6-8/h8-11,16-17H,1-7H2.
What are the key properties of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol?
3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).