(5R)-5-(trifluoromethyl)morpholin-3-one

C5H6F3NO2 — CID 95396540

IUPAC(5R)-5-(trifluoromethyl)morpholin-3-one
SMILESO=C1COC[C@H](C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-1-11-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1
InChIKeyUEJBXPFOGSMAMB-GSVOUGTGSA-N
MW169.10 g/mol
LogP0.06
Rot. Bonds

About (5R)-5-(trifluoromethyl)morpholin-3-one

(5R)-5-(trifluoromethyl)morpholin-3-one (PubChem CID 95396540) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is (5R)-5-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name(5R)-5-(trifluoromethyl)morpholin-3-one
PubChem CID95396540
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name(5R)-5-(trifluoromethyl)morpholin-3-one
SMILESO=C1COC[C@H](C(F)(F)F)N1
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-1-11-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1
InChIKeyUEJBXPFOGSMAMB-GSVOUGTGSA-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 (5R)-5-(trifluoromethyl)morpholin-3-one?
The IUPAC name of (5R)-5-(trifluoromethyl)morpholin-3-one (CID 95396540) is (5R)-5-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for (5R)-5-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for (5R)-5-(trifluoromethyl)morpholin-3-one is O=C1COC[C@H](C(F)(F)F)N1.
What is the InChIKey of (5R)-5-(trifluoromethyl)morpholin-3-one?
The InChIKey is UEJBXPFOGSMAMB-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)3-1-11-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1.
What are the key properties of (5R)-5-(trifluoromethyl)morpholin-3-one?
(5R)-5-(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 (5R)-5-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 95396540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).