6-(trifluoromethyl)morpholin-3-one

C5H6F3NO2 — CID 54595321

IUPAC6-(trifluoromethyl)morpholin-3-one
SMILESO=C1COC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10)
InChIKeyBVPPCXSJQGFORO-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.06
Rot. Bonds

About 6-(trifluoromethyl)morpholin-3-one

6-(trifluoromethyl)morpholin-3-one (PubChem CID 54595321) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name6-(trifluoromethyl)morpholin-3-one
PubChem CID54595321
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name6-(trifluoromethyl)morpholin-3-one
SMILESO=C1COC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10)
InChIKeyBVPPCXSJQGFORO-UHFFFAOYSA-N
XLogP0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of 6-(trifluoromethyl)morpholin-3-one (CID 54595321) is 6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for 6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for 6-(trifluoromethyl)morpholin-3-one is O=C1COC(C(F)(F)F)CN1.
What is the InChIKey of 6-(trifluoromethyl)morpholin-3-one?
The InChIKey is BVPPCXSJQGFORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10).
What are the key properties of 6-(trifluoromethyl)morpholin-3-one?
6-(trifluoromethyl)morpholin-3-one has a molecular weight of 169.10 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 54595321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).