2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol

C14H18F3NO2 — CID 56864108

IUPAC2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
SMILESOCCN1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-11(8-12)9-13-10-18(4-6-19)5-7-20-13/h1-3,8,13,19H,4-7,9-10H2
InChIKeyNITVCABEUQMHQD-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol

2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol (PubChem CID 56864108) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
PubChem CID56864108
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
SMILESOCCN1CCOC(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-11(8-12)9-13-10-18(4-6-19)5-7-20-13/h1-3,8,13,19H,4-7,9-10H2
InChIKeyNITVCABEUQMHQD-UHFFFAOYSA-N
XLogP1.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 45212990
(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
CID 28732920
2-[(2R)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanol
CID 95563200
5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95563019
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537
(2-methyl-3-pyridinyl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 45217332
2-[(2S)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]ethanol
CID 125000372

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol (CID 56864108) is 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol is OCCN1CCOC(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol?
The InChIKey is NITVCABEUQMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)12-3-1-2-11(8-12)9-13-10-18(4-6-19)5-7-20-13/h1-3,8,13,19H,4-7,9-10H2.
What are the key properties of 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol?
2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol has a molecular weight of 289.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol is sourced from PubChem (CID 56864108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).