[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol

C26H32F6N2O4 — CID 171374338

IUPAC[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC(C(F)(F)F)O1.OCC1CN(Cc2ccccc2)CC(C(F)(F)F)O1
InChIInChI=1S/2C13H16F3NO2/c2*14-13(15,16)12-8-17(7-11(9-18)19-12)6-10-4-2-1-3-5-10/h2*1-5,11-12,18H,6-9H2
InChIKeyUTKAPCQMQODCCE-UHFFFAOYSA-N
MW550.54 g/mol
LogP3.62
Rot. Bonds6

About [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol

[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol (PubChem CID 171374338) has the molecular formula C26H32F6N2O4 and a molecular weight of 550.54 g/mol. Its IUPAC name is [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol
PubChem CID171374338
Molecular FormulaC26H32F6N2O4
Molecular Weight550.54 g/mol
Exact Mass550.23
IUPAC Name[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccccc2)CC(C(F)(F)F)O1.OCC1CN(Cc2ccccc2)CC(C(F)(F)F)O1
InChIInChI=1S/2C13H16F3NO2/c2*14-13(15,16)12-8-17(7-11(9-18)19-12)6-10-4-2-1-3-5-10/h2*1-5,11-12,18H,6-9H2
InChIKeyUTKAPCQMQODCCE-UHFFFAOYSA-N
XLogP3.62
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
CID 139343303
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 88764245
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
[4-[(3-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935440
4-benzyl-2-ethyl-6-methylmorpholine
CID 67357185
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,4R)-1-benzyl-3,4-bis(chloromethyl)pyrrolidine
CID 98044022
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
2-[4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetic acid
CID 102933414

Frequently Asked Questions

What is the IUPAC name of [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol?
The IUPAC name of [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol (CID 171374338) is [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol is OCC1CN(Cc2ccccc2)CC(C(F)(F)F)O1.OCC1CN(Cc2ccccc2)CC(C(F)(F)F)O1.
What is the InChIKey of [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol?
The InChIKey is UTKAPCQMQODCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16F3NO2/c2*14-13(15,16)12-8-17(7-11(9-18)19-12)6-10-4-2-1-3-5-10/h2*1-5,11-12,18H,6-9H2.
What are the key properties of [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol?
[4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol has a molecular weight of 550.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-6-(trifluoromethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 171374338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).