2-(difluoromethyl)morpholine-4-carboxylic acid

C6H9F2NO3 — CID 68849173

IUPAC2-(difluoromethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(C(F)F)C1
InChIInChI=1S/C6H9F2NO3/c7-5(8)4-3-9(6(10)11)1-2-12-4/h4-5H,1-3H2,(H,10,11)
InChIKeyRAPXNZKUFOGCHO-UHFFFAOYSA-N
MW181.14 g/mol
LogP0.63
Rot. Bonds1

About 2-(difluoromethyl)morpholine-4-carboxylic acid

2-(difluoromethyl)morpholine-4-carboxylic acid (PubChem CID 68849173) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is 2-(difluoromethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)morpholine-4-carboxylic acid
PubChem CID68849173
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name2-(difluoromethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOC(C(F)F)C1
InChIInChI=1S/C6H9F2NO3/c7-5(8)4-3-9(6(10)11)1-2-12-4/h4-5H,1-3H2,(H,10,11)
InChIKeyRAPXNZKUFOGCHO-UHFFFAOYSA-N
XLogP0.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-Trifluoroethyl morpholine-4-carboxylate
CID 16227146
1,1,1-Trifluoro-3-(morpholin-4-yl)propan-2-ol
CID 4422171
2,2,2-Trifluoro-1-(2-methylmorpholin-4-yl)ethanone
CID 62490417
2-Fluoro-2,6-dimethylmorpholine-4-carboxylic acid
CID 67249892
3-(2,2,2-Trifluoroethoxy)azetidine-1-carboxylic acid
CID 89407431
2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 90213238
Difluoromethyl morpholine-4-carboxylate
CID 118280747
3-(2,2-Difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
(3S)-3-(difluoromethoxy)piperidine-1-carboxylic acid
CID 134262511
1-(2-Methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
CID 135239444
(2S)-2-(difluoromethyl)morpholine-4-carbaldehyde
CID 167505989
(2S)-2-(fluoromethyl)morpholine-4-carbaldehyde
CID 167506009

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)morpholine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)morpholine-4-carboxylic acid (CID 68849173) is 2-(difluoromethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)morpholine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)morpholine-4-carboxylic acid is O=C(O)N1CCOC(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)morpholine-4-carboxylic acid?
The InChIKey is RAPXNZKUFOGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c7-5(8)4-3-9(6(10)11)1-2-12-4/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-(difluoromethyl)morpholine-4-carboxylic acid?
2-(difluoromethyl)morpholine-4-carboxylic acid has a molecular weight of 181.14 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 68849173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).