difluoromethyl morpholine-4-carboxylate

C6H9F2NO3 — CID 118280747

IUPACdifluoromethyl morpholine-4-carboxylate
SMILESO=C(OC(F)F)N1CCOCC1
InChIInChI=1S/C6H9F2NO3/c7-5(8)12-6(10)9-1-3-11-4-2-9/h5H,1-4H2
InChIKeyFAMKACZEUUGKJN-UHFFFAOYSA-N
MW181.14 g/mol
LogP0.68
Rot. Bonds1

About difluoromethyl morpholine-4-carboxylate

difluoromethyl morpholine-4-carboxylate (PubChem CID 118280747) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is difluoromethyl morpholine-4-carboxylate.

Molecular Properties

Compound Namedifluoromethyl morpholine-4-carboxylate
PubChem CID118280747
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Namedifluoromethyl morpholine-4-carboxylate
SMILESO=C(OC(F)F)N1CCOCC1
InChIInChI=1S/C6H9F2NO3/c7-5(8)12-6(10)9-1-3-11-4-2-9/h5H,1-4H2
InChIKeyFAMKACZEUUGKJN-UHFFFAOYSA-N
XLogP0.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl morpholine-4-carboxylate
CID 230138
4-(Trifluoroacetyl)morpholine
CID 544636
2,2,2-Trifluoroethyl morpholine-4-carboxylate
CID 16227146
Morpholine-4-carbonyl fluoride
CID 12592126
Methyl morpholine-4-carboxylate
CID 12575354
Morpholine-4-carboxylic Acid
CID 9833960
2-Fluoro-1-morpholinoethanone
CID 12117566
2,2-Difluoro-1-morpholinoethanone
CID 13896439
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
2-Morpholin-4-ylethyl 2,2-difluoroacetate
CID 58855427
Methyl 3-fluoromorpholine-4-carboxylate
CID 68425153
2-(Difluoromethyl)morpholine-4-carboxylic acid
CID 68849173

Frequently Asked Questions

What is the IUPAC name of difluoromethyl morpholine-4-carboxylate?
The IUPAC name of difluoromethyl morpholine-4-carboxylate (CID 118280747) is difluoromethyl morpholine-4-carboxylate.
What is the SMILES notation for difluoromethyl morpholine-4-carboxylate?
The canonical SMILES for difluoromethyl morpholine-4-carboxylate is O=C(OC(F)F)N1CCOCC1.
What is the InChIKey of difluoromethyl morpholine-4-carboxylate?
The InChIKey is FAMKACZEUUGKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c7-5(8)12-6(10)9-1-3-11-4-2-9/h5H,1-4H2.
What are the key properties of difluoromethyl morpholine-4-carboxylate?
difluoromethyl morpholine-4-carboxylate has a molecular weight of 181.14 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl morpholine-4-carboxylate is sourced from PubChem (CID 118280747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).