4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid

C13H14F3NO4 — CID 107105272

IUPAC4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H14F3NO4/c14-13(15,16)21-10-3-1-2-9(6-10)7-17-4-5-20-8-11(17)12(18)19/h1-3,6,11H,4-5,7-8H2,(H,18,19)
InChIKeyWYVVFBZRCKERQG-UHFFFAOYSA-N
MW305.25 g/mol
LogP1.87
Rot. Bonds4

About 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid

4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid (PubChem CID 107105272) has the molecular formula C13H14F3NO4 and a molecular weight of 305.25 g/mol. Its IUPAC name is 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
PubChem CID107105272
Molecular FormulaC13H14F3NO4
Molecular Weight305.25 g/mol
Exact Mass305.09
IUPAC Name4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H14F3NO4/c14-13(15,16)21-10-3-1-2-9(6-10)7-17-4-5-20-8-11(17)12(18)19/h1-3,6,11H,4-5,7-8H2,(H,18,19)
InChIKeyWYVVFBZRCKERQG-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[[3-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]morpholine-3-carboxylic acid
CID 69171245
2-[[3-(trifluoromethoxy)phenyl]methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139599692
4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70784652
[(2R,5R)-5-methyl-4-[[3-(trifluoromethoxy)phenyl]methyl]morpholin-2-yl]methanol
CID 97153639
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
4-(1H-pyrazol-4-ylmethyl)morpholine-3-carboxylic acid
CID 130569431
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
4-[(4-cyano-3-methoxyphenyl)methyl]morpholine-3-carboxylic acid
CID 106792559
4-[(1S)-1-[[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 90353917
(3S,4S)-3-hydroxy-4-propyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 135117228
5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 122125387

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid (CID 107105272) is 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid?
The InChIKey is WYVVFBZRCKERQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO4/c14-13(15,16)21-10-3-1-2-9(6-10)7-17-4-5-20-8-11(17)12(18)19/h1-3,6,11H,4-5,7-8H2,(H,18,19).
What are the key properties of 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid?
4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid has a molecular weight of 305.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 107105272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).