3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one

C8H9F6NO2 — CID 22964136

IUPAC3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H9F6NO2/c9-7(10,11)5(8(12,13)14)6(16)15-1-3-17-4-2-15/h5H,1-4H2
InChIKeyDWCFDCBKYHABOY-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.59
Rot. Bonds1

About 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one

3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one (PubChem CID 22964136) has the molecular formula C8H9F6NO2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one
PubChem CID22964136
Molecular FormulaC8H9F6NO2
Molecular Weight265.15 g/mol
Exact Mass265.05
IUPAC Name3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H9F6NO2/c9-7(10,11)5(8(12,13)14)6(16)15-1-3-17-4-2-15/h5H,1-4H2
InChIKeyDWCFDCBKYHABOY-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one (CID 22964136) is 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one is O=C(C(C(F)(F)F)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one?
The InChIKey is DWCFDCBKYHABOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F6NO2/c9-7(10,11)5(8(12,13)14)6(16)15-1-3-17-4-2-15/h5H,1-4H2.
What are the key properties of 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one?
3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one has a molecular weight of 265.15 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-morpholin-4-yl-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 22964136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).