[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol

C14H18F3NO3 — CID 97153639

IUPAC[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
SMILESC[C@@H]1CO[C@@H](CO)CN1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-10-9-20-13(8-19)7-18(10)6-11-3-2-4-12(5-11)21-14(15,16)17/h2-5,10,13,19H,6-9H2,1H3/t10-,13-/m1/s1
InChIKeyHUUUNBRLADRJPD-ZWNOBZJWSA-N
MW305.30 g/mol
LogP2.17
Rot. Bonds4

About [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol

[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol (PubChem CID 97153639) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
PubChem CID97153639
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
SMILESC[C@@H]1CO[C@@H](CO)CN1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-10-9-20-13(8-19)7-18(10)6-11-3-2-4-12(5-11)21-14(15,16)17/h2-5,10,13,19H,6-9H2,1H3/t10-,13-/m1/s1
InChIKeyHUUUNBRLADRJPD-ZWNOBZJWSA-N
XLogP2.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398
[5-methyl-4-[(3-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81213298
4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208031
[4-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81218645
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
CID 107105272
[4-[(3-bromo-5-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81219213
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
[4-[[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]methyl]-5-methylmorpholin-2-yl]methanol
CID 81208434
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol (CID 97153639) is [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol is C[C@@H]1CO[C@@H](CO)CN1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol?
The InChIKey is HUUUNBRLADRJPD-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-10-9-20-13(8-19)7-18(10)6-11-3-2-4-12(5-11)21-14(15,16)17/h2-5,10,13,19H,6-9H2,1H3/t10-,13-/m1/s1.
What are the key properties of [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol?
[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol has a molecular weight of 305.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 97153639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).