2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid

C12H14FNO3 — CID 67469485

IUPAC2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid
SMILESO=C(O)N1CC(CF)OCC1c1ccccc1
InChIInChI=1S/C12H14FNO3/c13-6-10-7-14(12(15)16)11(8-17-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)
InChIKeyGCCUIEUPDOWURQ-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.08
Rot. Bonds2

About 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid

2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid (PubChem CID 67469485) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid
PubChem CID67469485
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid
SMILESO=C(O)N1CC(CF)OCC1c1ccccc1
InChIInChI=1S/C12H14FNO3/c13-6-10-7-14(12(15)16)11(8-17-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16)
InChIKeyGCCUIEUPDOWURQ-UHFFFAOYSA-N
XLogP2.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylaziridine-1-carboxylic acid
CID 87708946
4-(3-fluoroprop-1-en-2-yl)-2-methyl-5-phenylmorpholine
CID 142383852
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
(2-methyl-5-phenylmorpholin-4-yl)-(oxiran-2-yl)methanone
CID 154879876
2-(methylamino)-1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]ethanone
CID 124686301
(2S)-2-amino-1-[(2S,5R)-2-methyl-5-phenylmorpholin-4-yl]butan-1-one
CID 124890111
2-amino-1-(2-methyl-5-phenylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119335324
2-(1-hydroxycyclopentyl)-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 111540812
1-[(2S,5S)-2-methyl-5-phenylmorpholin-4-yl]-2-pyrimidin-5-ylethanone
CID 124882003
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenylmorpholine-4-carboxamide
CID 71925676
2-cyclopent-2-en-1-yl-1-(2-methyl-5-phenylmorpholin-4-yl)ethanone
CID 71993114
2-[(2S,5R)-2-amino-3-oxo-5-phenylmorpholin-4-yl]acetic acid
CID 163946363

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid?
The IUPAC name of 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid (CID 67469485) is 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid.
What is the SMILES notation for 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid?
The canonical SMILES for 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid is O=C(O)N1CC(CF)OCC1c1ccccc1.
What is the InChIKey of 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid?
The InChIKey is GCCUIEUPDOWURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-6-10-7-14(12(15)16)11(8-17-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,16).
What are the key properties of 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid?
2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-phenylmorpholine-4-carboxylic acid is sourced from PubChem (CID 67469485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).