2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate

C10H12F7NO3 — CID 59013004

IUPAC2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7NO3/c11-8(12,9(13,14)10(15,16)17)6-21-7(19)5-18-1-3-20-4-2-18/h1-6H2
InChIKeyIZISUROTGLKTBI-UHFFFAOYSA-N
MW327.20 g/mol
LogP1.69
Rot. Bonds5

About 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate

2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate (PubChem CID 59013004) has the molecular formula C10H12F7NO3 and a molecular weight of 327.20 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate
PubChem CID59013004
Molecular FormulaC10H12F7NO3
Molecular Weight327.20 g/mol
Exact Mass327.07
IUPAC Name2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate
SMILESO=C(CN1CCOCC1)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F7NO3/c11-8(12,9(13,14)10(15,16)17)6-21-7(19)5-18-1-3-20-4-2-18/h1-6H2
InChIKeyIZISUROTGLKTBI-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl (2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetate
CID 91694256
4-Methylmorpholine;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 17843040
2-Morpholin-4-ylethyl 2,2,2-trifluoroacetate
CID 17857588
Morpholin-4-ylmethyl 2,2-difluoropropanoate
CID 58341547
2,2-Difluoropropyl 2-morpholin-4-ylacetate
CID 58341548
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
2-Morpholin-4-ylethyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 58855410
2-Morpholin-4-ylethyl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855414
2-Morpholinoethyl 2,2-bis(trifluoromethyl)propionate
CID 58855417
2,2,3,3-Tetrafluoropropyl 3-morpholin-4-ylpropanoate
CID 58855425
2-Morpholin-4-ylethyl 2,2-difluoroacetate
CID 58855427
2-Morpholin-4-ylethyl 2,2,3,3-tetrafluoropropanoate
CID 58855491

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate (CID 59013004) is 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate is O=C(CN1CCOCC1)OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate?
The InChIKey is IZISUROTGLKTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F7NO3/c11-8(12,9(13,14)10(15,16)17)6-21-7(19)5-18-1-3-20-4-2-18/h1-6H2.
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate?
2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate has a molecular weight of 327.20 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutyl 2-morpholin-4-ylacetate is sourced from PubChem (CID 59013004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).