5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one

C13H14F3NO3 — CID 115102815

IUPAC5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESO=C1COCC(CO)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)10-3-1-9(2-4-10)5-17-11(6-18)7-20-8-12(17)19/h1-4,11,18H,5-8H2
InChIKeyDRZXTWTZLPMFRW-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.43
Rot. Bonds3

About 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one

5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one (PubChem CID 115102815) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
PubChem CID115102815
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESO=C1COCC(CO)N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)10-3-1-9(2-4-10)5-17-11(6-18)7-20-8-12(17)19/h1-4,11,18H,5-8H2
InChIKeyDRZXTWTZLPMFRW-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
4-(4-tert-butylphenyl)-5-(hydroxymethyl)morpholin-3-one
CID 117009566
5-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060503
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774818
5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
4-(5-chlorothiophen-2-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102785
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
CID 56766000
7-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64881828

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The IUPAC name of 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one (CID 115102815) is 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The canonical SMILES for 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one is O=C1COCC(CO)N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The InChIKey is DRZXTWTZLPMFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)10-3-1-9(2-4-10)5-17-11(6-18)7-20-8-12(17)19/h1-4,11,18H,5-8H2.
What are the key properties of 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one has a molecular weight of 289.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 115102815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).