[4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate

C14H18F9NO3 — CID 58855476

IUPAC[4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate
SMILESCC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H18F9NO3/c1-9(25)27-10(7-24-2-4-26-5-3-24)6-11(15,16)8-12(17,13(18,19)20)14(21,22)23/h10H,2-8H2,1H3
InChIKeyPPSYRYUKGSMICU-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.50
Rot. Bonds7

About [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate

[4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate (PubChem CID 58855476) has the molecular formula C14H18F9NO3 and a molecular weight of 419.28 g/mol. Its IUPAC name is [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate.

Molecular Properties

Compound Name[4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate
PubChem CID58855476
Molecular FormulaC14H18F9NO3
Molecular Weight419.28 g/mol
Exact Mass419.11
IUPAC Name[4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate
SMILESCC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H18F9NO3/c1-9(25)27-10(7-24-2-4-26-5-3-24)6-11(15,16)8-12(17,13(18,19)20)14(21,22)23/h10H,2-8H2,1H3
InChIKeyPPSYRYUKGSMICU-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate?
The IUPAC name of [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate (CID 58855476) is [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate.
What is the SMILES notation for [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate?
The canonical SMILES for [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate is CC(=O)OC(CN1CCOCC1)CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate?
The InChIKey is PPSYRYUKGSMICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F9NO3/c1-9(25)27-10(7-24-2-4-26-5-3-24)6-11(15,16)8-12(17,13(18,19)20)14(21,22)23/h10H,2-8H2,1H3.
What are the key properties of [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate?
[4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate has a molecular weight of 419.28 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,6,7,7,7-hexafluoro-1-morpholin-4-yl-6-(trifluoromethyl)heptan-2-yl] acetate is sourced from PubChem (CID 58855476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).