morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone

C15H18F3NO2 — CID 70841140

IUPACmorpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-10(2)12-4-3-11(9-13(12)15(16,17)18)14(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXEFFPRTZVAAKOT-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.30
Rot. Bonds2

About morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone

morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone (PubChem CID 70841140) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone
PubChem CID70841140
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Namemorpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone
SMILESCC(C)c1ccc(C(=O)N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C15H18F3NO2/c1-10(2)12-4-3-11(9-13(12)15(16,17)18)14(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyXEFFPRTZVAAKOT-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone (CID 70841140) is morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone is CC(C)c1ccc(C(=O)N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is XEFFPRTZVAAKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-10(2)12-4-3-11(9-13(12)15(16,17)18)14(20)19-5-7-21-8-6-19/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone?
morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 301.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-propan-2-yl-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70841140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).