morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone

C12H12F3NO2 — CID 531804

IUPACmorpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10-3-1-2-9(8-10)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2
InChIKeyYWQNAFUPXWKYRS-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.18
Rot. Bonds1

About morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone

morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 531804) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID531804
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Namemorpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCOCC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)10-3-1-2-9(8-10)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2
InChIKeyYWQNAFUPXWKYRS-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone (CID 531804) is morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is YWQNAFUPXWKYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)10-3-1-2-9(8-10)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2.
What are the key properties of morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone?
morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 259.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 531804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).