morpholine;4-(trifluoromethyl)pyrrolidin-2-one

C9H15F3N2O2 — CID 174873213

IUPACmorpholine;4-(trifluoromethyl)pyrrolidin-2-one
SMILESC1COCCN1.O=C1CC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO.C4H9NO/c6-5(7,8)3-1-4(10)9-2-3;1-3-6-4-2-5-1/h3H,1-2H2,(H,9,10);5H,1-4H2
InChIKeyIKERXPKWNXPCRW-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.29
Rot. Bonds

About morpholine;4-(trifluoromethyl)pyrrolidin-2-one

morpholine;4-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 174873213) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is morpholine;4-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Namemorpholine;4-(trifluoromethyl)pyrrolidin-2-one
PubChem CID174873213
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Namemorpholine;4-(trifluoromethyl)pyrrolidin-2-one
SMILESC1COCCN1.O=C1CC(C(F)(F)F)CN1
InChIInChI=1S/C5H6F3NO.C4H9NO/c6-5(7,8)3-1-4(10)9-2-3;1-3-6-4-2-5-1/h3H,1-2H2,(H,9,10);5H,1-4H2
InChIKeyIKERXPKWNXPCRW-UHFFFAOYSA-N
XLogP0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholine;4-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of morpholine;4-(trifluoromethyl)pyrrolidin-2-one (CID 174873213) is morpholine;4-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for morpholine;4-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for morpholine;4-(trifluoromethyl)pyrrolidin-2-one is C1COCCN1.O=C1CC(C(F)(F)F)CN1.
What is the InChIKey of morpholine;4-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is IKERXPKWNXPCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO.C4H9NO/c6-5(7,8)3-1-4(10)9-2-3;1-3-6-4-2-5-1/h3H,1-2H2,(H,9,10);5H,1-4H2.
What are the key properties of morpholine;4-(trifluoromethyl)pyrrolidin-2-one?
morpholine;4-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 240.22 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;4-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 174873213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).