[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol

C12H16F3NO2 — CID 113365792

IUPAC[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCCOCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)9-18-6-5-16-7-10-1-3-11(8-17)4-2-10/h1-4,16-17H,5-9H2
InChIKeyMXQBTFTXXLOBOE-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.85
Rot. Bonds7

About [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol

[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol (PubChem CID 113365792) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
PubChem CID113365792
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol
SMILESOCc1ccc(CNCCOCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c13-12(14,15)9-18-6-5-16-7-10-1-3-11(8-17)4-2-10/h1-4,16-17H,5-9H2
InChIKeyMXQBTFTXXLOBOE-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.85
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

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]phenol
CID 113222790
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732872
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
N-[(3-bromo-4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732722
N-[(4-bromo-3-methylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 66473825
[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]methanol
CID 83962679
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55031855
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]aniline
CID 66417301
2-[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270018

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol (CID 113365792) is [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol is OCc1ccc(CNCCOCC(F)(F)F)cc1.
What is the InChIKey of [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol?
The InChIKey is MXQBTFTXXLOBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c13-12(14,15)9-18-6-5-16-7-10-1-3-11(8-17)4-2-10/h1-4,16-17H,5-9H2.
What are the key properties of [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol?
[4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol has a molecular weight of 263.26 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 113365792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).