[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C13H14F3NO2 — CID 51710382

IUPAC[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C13H14F3NO2/c1-9-8-17(6-7-19-9)12(18)10-2-4-11(5-3-10)13(14,15)16/h2-5,9H,6-8H2,1H3/t9-/m0/s1
InChIKeyFBTHLVCQVSQBDM-VIFPVBQESA-N
MW273.25 g/mol
LogP2.57
Rot. Bonds1

About [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 51710382) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID51710382
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1
InChIInChI=1S/C13H14F3NO2/c1-9-8-17(6-7-19-9)12(18)10-2-4-11(5-3-10)13(14,15)16/h2-5,9H,6-8H2,1H3/t9-/m0/s1
InChIKeyFBTHLVCQVSQBDM-VIFPVBQESA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-iodo-5-(trifluoromethyl)phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647263
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
4-[(2R)-2-methylmorpholine-4-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 41247466
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
3-[4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76907103
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(2-methylmorpholin-4-yl)-[3-piperidin-4-yl-4-(trifluoromethyl)phenyl]methanone
CID 171361802
[3-methyl-4-(methylamino)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114498148
(2,5-dimethylmorpholin-4-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55586702
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 51710382) is [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1.
What is the InChIKey of [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is FBTHLVCQVSQBDM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-9-8-17(6-7-19-9)12(18)10-2-4-11(5-3-10)13(14,15)16/h2-5,9H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 273.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 51710382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).