1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate

C10H13F6NO3 — CID 59855625

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO3/c11-9(12,13)8(10(14,15)16)20-7(18)1-2-17-3-5-19-6-4-17/h8H,1-6H2
InChIKeyOKNBAXUPSRWJDX-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.75
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate

1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate (PubChem CID 59855625) has the molecular formula C10H13F6NO3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate
PubChem CID59855625
Molecular FormulaC10H13F6NO3
Molecular Weight309.21 g/mol
Exact Mass309.08
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate
SMILESO=C(CCN1CCOCC1)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO3/c11-9(12,13)8(10(14,15)16)20-7(18)1-2-17-3-5-19-6-4-17/h8H,1-6H2
InChIKeyOKNBAXUPSRWJDX-UHFFFAOYSA-N
XLogP1.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2,6-dimethyl-4-morpholinepropionate
CID 98759
N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-[Difluoro(morpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoic acid
CID 51063041
3-Morpholin-4-ylpropanoate;2,2,2-trifluoroacetaldehyde
CID 54081626
2-Morpholin-4-ylethyl 2,2-difluoropropanoate
CID 58341558
1-Morpholin-4-ylpropan-2-yl 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoate
CID 58855371
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5-octafluoropentanoate
CID 58855384
1-Morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
CID 58855390
2,2,3,3-Tetrafluoropropyl 3-morpholin-4-ylpropanoate
CID 58855425
[1-Morpholin-4-yl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl] acetate
CID 58855433
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
CID 58855442
1-Morpholin-4-ylpropan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 58855443

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate (CID 59855625) is 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate is O=C(CCN1CCOCC1)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
The InChIKey is OKNBAXUPSRWJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO3/c11-9(12,13)8(10(14,15)16)20-7(18)1-2-17-3-5-19-6-4-17/h8H,1-6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate?
1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate has a molecular weight of 309.21 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 3-morpholin-4-ylpropanoate is sourced from PubChem (CID 59855625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).