2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol

C12H22F3NO2 — CID 64912835

IUPAC2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)9-18-7-3-6-16-8-10-4-1-2-5-11(10)17/h10-11,16-17H,1-9H2
InChIKeyLTXFNDYPCUNNBL-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.10
Rot. Bonds7

About 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol

2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol (PubChem CID 64912835) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
PubChem CID64912835
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCCOCC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)9-18-7-3-6-16-8-10-4-1-2-5-11(10)17/h10-11,16-17H,1-9H2
InChIKeyLTXFNDYPCUNNBL-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol (CID 64912835) is 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCCCOCC(F)(F)F.
What is the InChIKey of 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is LTXFNDYPCUNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)9-18-7-3-6-16-8-10-4-1-2-5-11(10)17/h10-11,16-17H,1-9H2.
What are the key properties of 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).