[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol

C18H20F3NO3 — CID 45212990

IUPAC[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C18H20F3NO3/c19-18(20,21)14-3-1-2-13(8-14)9-17-11-22(6-7-24-17)10-15-4-5-16(12-23)25-15/h1-5,8,17,23H,6-7,9-12H2
InChIKeyGCETZUHKDBROLR-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.23
Rot. Bonds5

About [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol

[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol (PubChem CID 45212990) has the molecular formula C18H20F3NO3 and a molecular weight of 355.36 g/mol. Its IUPAC name is [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
PubChem CID45212990
Molecular FormulaC18H20F3NO3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C18H20F3NO3/c19-18(20,21)14-3-1-2-13(8-14)9-17-11-22(6-7-24-17)10-15-4-5-16(12-23)25-15/h1-5,8,17,23H,6-7,9-12H2
InChIKeyGCETZUHKDBROLR-UHFFFAOYSA-N
XLogP3.23
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

2-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanol
CID 56864108
(2S)-4-[(6-methyl-2-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine
CID 28732920
5-[[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95563019
(2S)-N-prop-2-enyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 26408379
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 146135039
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 56918384
(1,5-dimethylpyrazol-3-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358801
(4-methyl-1H-pyrrol-2-yl)-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 95554052
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 42358800
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537
[5-[[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 129344343

Frequently Asked Questions

What is the IUPAC name of [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol (CID 45212990) is [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCOC(Cc3cccc(C(F)(F)F)c3)C2)o1.
What is the InChIKey of [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol?
The InChIKey is GCETZUHKDBROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO3/c19-18(20,21)14-3-1-2-13(8-14)9-17-11-22(6-7-24-17)10-15-4-5-16(12-23)25-15/h1-5,8,17,23H,6-7,9-12H2.
What are the key properties of [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol?
[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol has a molecular weight of 355.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 45212990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).