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

C6H9F2NO3 — CID 175410404

IUPAC(2S)-2-(difluoromethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCO[C@H](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)/t4-/m0/s1
InChIKeyRAPXNZKUFOGCHO-BYPYZUCNSA-N
MW181.14 g/mol
LogP0.63
Rot. Bonds1

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

(2S)-2-(difluoromethyl)morpholine-4-carboxylic acid (PubChem CID 175410404) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(difluoromethyl)morpholine-4-carboxylic acid
PubChem CID175410404
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name(2S)-2-(difluoromethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCO[C@H](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)/t4-/m0/s1
InChIKeyRAPXNZKUFOGCHO-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid (CID 175410404) is (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid is O=C(O)N1CCO[C@H](C(F)F)C1.
What is the InChIKey of (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid?
The InChIKey is RAPXNZKUFOGCHO-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid?
(2S)-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 (2S)-2-(difluoromethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 175410404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).