4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol

C12H22F3NO2 — CID 106133610

IUPAC4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)9-18-7-1-6-16-8-10-2-4-11(17)5-3-10/h10-11,16-17H,1-9H2
InChIKeyRFPOKJAMBYJEFV-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.10
Rot. Bonds7

About 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol (PubChem CID 106133610) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
PubChem CID106133610
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)9-18-7-1-6-16-8-10-2-4-11(17)5-3-10/h10-11,16-17H,1-9H2
InChIKeyRFPOKJAMBYJEFV-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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Related Compounds

2-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 64910973
2-[(2,2,2-Trifluoroethylamino)methyl]cyclohexan-1-ol
CID 64911170
2-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 64911191
2-[(2,2-Difluoroethylamino)methyl]cyclohexan-1-ol
CID 64911357
2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 64912835
2-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 64913050
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 65109006
4-Methyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 65115960
2-[[2-(Trifluoromethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 65804520
2-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
CID 65838653
4,4,4-Trifluoro-1-piperidin-3-ylbutan-1-ol
CID 80559448
1-[4-(difluoromethoxy)cyclohexyl]-N-methylmethanamine
CID 84720027

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol (CID 106133610) is 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is RFPOKJAMBYJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)9-18-7-1-6-16-8-10-2-4-11(17)5-3-10/h10-11,16-17H,1-9H2.
What are the key properties of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
4-[[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 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).