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

C20H20F3NO3 — CID 70473463

IUPAC[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)17-3-1-2-16(14-17)19(25)15-4-6-18(7-5-15)27-13-10-24-8-11-26-12-9-24/h1-7,14H,8-13H2
InChIKeyQSZOGPMNCAQFLQ-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.65
Rot. Bonds6

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

[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 70473463) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID70473463
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)17-3-1-2-16(14-17)19(25)15-4-6-18(7-5-15)27-13-10-24-8-11-26-12-9-24/h1-7,14H,8-13H2
InChIKeyQSZOGPMNCAQFLQ-UHFFFAOYSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978
(3,4-diaminophenyl)-[3-(4-morpholin-4-ylbutoxy)phenyl]methanone
CID 21451803
oxalic acid;1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
CID 2944187
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 25014776
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
(E)-1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one;hydrochloride
CID 71812184
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone (CID 70473463) is [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(OCCN2CCOCC2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is QSZOGPMNCAQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c21-20(22,23)17-3-1-2-16(14-17)19(25)15-4-6-18(7-5-15)27-13-10-24-8-11-26-12-9-24/h1-7,14H,8-13H2.
What are the key properties of [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 70473463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).